data_2lxk_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 2lxk _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 ' 2' ' ' GLU . . . . . 0.635 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 51.9 mm-40 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.828 0.823 . . . . 62.210000000000001 110.184 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -97.57 142.65 29.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.836 -1.074 . . . . 74.530000000000001 109.187 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.15 176.41 45.19 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.211 -0.995 . . . . 62.439999999999998 112.501 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.6 m -99.57 134.83 41.88 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.147 -0.316 . . . . 73.430000000000007 110.147 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.16 114.86 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.52 -0.548 . . . . 74.239999999999995 109.52 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -70.37 -59.22 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 71.129999999999995 109.994 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.5 t90 -172.59 158.35 4.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 75.540000000000006 109.655 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.582 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 11.4 p90 -123.82 111.89 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.322 0.582 . . . . 73.219999999999999 110.949 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -79.21 87.72 4.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.935 0.874 . . . . 73.450000000000003 109.829 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.43 -14.32 49.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.014 -0.993 . . . . 73.430000000000007 111.68 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -57.34 -45.38 84.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.877 0.37 . . . . 75.239999999999995 110.058 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -93.98 -39.56 10.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.04 0.448 . . . . 74.310000000000002 109.825 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.39 29.3 4.54 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.639 -0.709 . . . . 45.520000000000003 111.49 -176.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -121.36 143.89 48.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.794 0.33 . . . . 74.120000000000005 110.423 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.582 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -113.23 146.57 18.47 Favored Glycine 0 N--CA 1.44 -1.074 0 C-N-CA 120.396 -0.907 . . . . 54.329999999999998 111.253 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.38 133.35 53.75 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.01 0.433 . . . . 73.519999999999996 109.906 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.23 144.86 28.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.379 -0.828 . . . . 60.340000000000003 109.134 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.49 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 29.0 tt0 -100.39 127.09 46.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.231 0.539 . . . . 72.129999999999995 111.264 -172.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.607 ' NH2' ' HB3' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -125.04 161.31 27.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.364 -0.835 . . . . 75.209999999999994 109.259 176.578 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.53 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 26.1 tt0 -62.42 -45.33 93.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.089 0.471 . . . . 71.519999999999996 109.826 174.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.07 -21.79 60.71 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.72 -0.673 . . . . 61.219999999999999 111.804 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.63 119.91 0.75 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.326 -0.94 . . . . 62.310000000000002 112.392 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 15.5 p-10 -98.88 55.47 1.03 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.558 0.695 . . . . 71.439999999999998 110.537 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -164.17 44.29 0.1 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.37 -0.832 . . . . 74.340000000000003 110.299 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.71 118.77 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.747 -0.661 . . . . 75.409999999999997 110.012 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -78.02 103.58 8.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.631 -0.713 . . . . 73.150000000000006 111.114 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.4 p -97.66 134.78 34.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.537 -0.542 . . . . 73.510000000000005 109.537 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -136.85 151.66 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.343 -0.39 . . . . 72.219999999999999 110.433 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -74.38 9.92 1.51 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.991 0.737 . . . . 74.239999999999995 112.991 -167.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 m -82.91 -7.84 59.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.116 0.484 . . . . 54.350000000000001 110.167 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -129.33 19.57 5.81 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.868 -0.606 . . . . 74.349999999999994 110.903 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 tp -80.57 151.59 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 72.450000000000003 109.998 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -84.22 -162.57 0.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.908 0.385 . . . . 62.109999999999999 111.098 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.76 -134.79 4.6 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.157 -0.545 . . . . 74.140000000000001 111.94 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 62.22 16.64 8.56 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.942 0.497 . . . . 74.140000000000001 111.656 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.22 -18.37 57.5 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.656 -0.783 . . . . 54.009999999999998 112.104 -178.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -81.38 78.9 8.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.333 0.587 . . . . 73.540000000000006 110.428 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 5.76 11.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.287 -0.869 . . . . 74.530000000000001 109.431 176.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.7 m -107.4 124.22 49.52 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.812 -1.085 . . . . 63.439999999999998 110.429 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.555 ' HA ' ' NE2' ' A' ' 45' ' ' GLN . 94.4 mt -107.32 127.18 53.33 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.936 -0.764 . . . . 74.349999999999994 108.936 173.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.484 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 38.3 t70 -124.4 144.16 50.2 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.084 0.468 . . . . 72.239999999999995 110.852 -174.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.34 124.21 20.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.326 -0.852 . . . . 71.310000000000002 111.183 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.35 -3.53 56.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.598 -0.81 . . . . 64.109999999999999 113.511 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.555 ' NE2' ' HA ' ' A' ' 41' ' ' LEU . 17.6 pt20 -90.79 155.75 18.56 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 117.773 0.787 . . . . 72.450000000000003 110.597 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.61 137.51 39.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.168 -0.469 . . . . 75.340000000000003 111.028 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.71 164.2 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 74.319999999999993 110.988 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.7 m -128.79 134.29 48.33 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.916 -0.772 . . . . 74.349999999999994 108.916 176.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.635 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 22.2 p90 -161.31 -175.63 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.496 -0.482 . . . . 74.109999999999999 111.42 -173.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -111.33 153.23 26.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.41 -0.814 . . . . 64.420000000000002 109.418 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.4 t -127.79 123.83 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.019 0.438 . . . . 72.329999999999998 111.025 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.89 113.56 25.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.695 -0.684 . . . . 61.219999999999999 109.503 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.497 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 42.6 mt-10 -80.13 126.02 30.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.08 -0.509 . . . . 74.349999999999994 110.314 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -88.79 -147.36 14.59 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.775 -0.726 . . . . 75.239999999999995 111.389 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -74.74 88.17 2.24 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.026 -0.731 . . . . 73.439999999999998 109.026 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 52.57 81.87 0.08 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.391 -0.822 . . . . 65.439999999999998 110.747 -171.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.68 101.06 0.16 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.804 -0.712 . . . . 60.149999999999999 112.171 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.497 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 3.9 Cg_exo -80.0 111.08 2.65 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.047 2.498 . . . . 75.239999999999995 111.832 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -112.04 150.69 30.29 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.52 -0.472 . . . . 75.340000000000003 110.34 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.7 134.93 33.55 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.609 -0.723 . . . . 75.109999999999999 111.467 -177.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -135.2 145.6 47.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.289 -0.869 . . . . 73.510000000000005 108.941 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.93 83.91 0.12 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.525 -0.546 . . . . 72.340000000000003 109.525 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.519 ' HA ' ' HB3' ' A' ' 49' ' ' PHE . 47.7 t -100.13 124.8 53.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 120.468 -0.493 . . . . 62.509999999999998 111.076 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -122.08 150.01 42.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.749 -0.659 . . . . 74.420000000000002 109.601 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -84.82 136.52 33.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.762 0.315 . . . . 55.020000000000003 110.703 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.279 -0.867 . . . . 72.439999999999998 109.791 174.626 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.803 ' HG2' ' HB ' ' A' ' 51' ' ' VAL . 1.5 mp0 . . . . . 0 N--CA 1.45 -0.471 0 CA-C-O 120.859 0.362 . . . . 75.430000000000007 111.183 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -111.55 129.14 56.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.902 -0.407 . . . . 75.239999999999995 109.902 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.74 176.94 30.71 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.578 -0.82 . . . . 71.140000000000001 112.247 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.5 m -95.71 131.1 42.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.801 0.334 . . . . 75.140000000000001 110.474 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.2 t -68.88 110.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.084 -0.507 . . . . 75.299999999999997 110.489 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' TRP . 16.9 tppt? -63.62 -55.53 22.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.895 -0.593 . . . . 75.409999999999997 109.509 178.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.621 ' HD1' ' HB3' ' A' ' 43' ' ' GLU . 0.6 OUTLIER 176.99 168.0 0.54 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.263 -0.88 . . . . 72.120000000000005 109.087 173.816 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.617 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 4.7 p90 -123.41 96.42 4.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.504 0.669 . . . . 72.140000000000001 109.631 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.702 HD21 ' HB2' ' A' ' 13' ' ' LYS . 3.2 p-10 -68.57 84.06 0.28 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.521 0.677 . . . . 73.439999999999998 111.396 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.99 -22.56 65.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.375 -0.829 . . . . 72.099999999999994 111.665 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -58.05 -39.58 78.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.413 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.702 ' HB2' HD21 ' A' ' 10' ' ' ASN . 29.6 mtpp -101.42 -10.64 20.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.223 0.535 . . . . 73.25 110.041 176.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.25 43.54 20.43 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.539 -0.755 . . . . 71.129999999999995 112.58 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.637 ' HB2' HD22 ' A' ' 10' ' ' ASN . 55.9 m-85 -140.27 -178.73 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.217 -0.29 . . . . 73.049999999999997 110.217 -178.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.617 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -146.98 162.15 28.53 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.62 -0.8 . . . . 73.5 112.194 175.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -136.58 137.86 40.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.766 0.317 . . . . 74.450000000000003 110.745 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.8 mt -127.17 147.73 32.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.863 -0.608 . . . . 72.140000000000001 109.655 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -119.77 132.3 55.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 74.329999999999998 110.59 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.568 HH11 ' HG3' ' A' ' 2' ' ' GLU . 71.0 mtp180 -119.77 160.44 22.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.233 0.539 . . . . 74.400000000000006 111.113 177.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.18 -45.43 84.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.059 -0.973 . . . . 73.310000000000002 109.781 171.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -96.16 19.01 12.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.608 -0.724 . . . . 60.409999999999997 111.039 -176.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . 179.33 106.78 0.21 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 119.775 -1.203 . . . . 53.310000000000002 112.97 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -91.13 155.5 18.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.085 -0.339 . . . . 73.519999999999996 110.085 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 t70 63.45 72.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 124.034 0.834 . . . . 73.310000000000002 111.508 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -107.29 118.53 55.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.721 -0.672 . . . . 72.340000000000003 109.622 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 59' ' ' GLN . 28.6 t80 -84.23 140.86 31.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.201 -0.454 . . . . 73.319999999999993 110.286 -175.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.0 t -120.26 132.54 69.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.055 0.455 . . . . 72.519999999999996 111.422 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -111.16 145.72 38.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 74.109999999999999 109.904 173.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.532 ' O ' HG22 ' A' ' 33' ' ' ILE . 82.4 m-85 -71.53 -10.11 59.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.381 0.61 . . . . 74.319999999999993 110.072 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -75.73 -4.65 41.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.487 -0.779 . . . . 55.130000000000003 110.919 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . . . -121.67 -3.05 9.29 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.78 0.324 . . . . 62.310000000000002 111.871 -178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 30' ' ' PHE . 11.0 tp -86.62 148.92 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.674 -0.491 . . . . 71.040000000000006 109.674 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -95.07 156.69 16.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.427 -0.351 . . . . 73.430000000000007 110.268 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 39' ' ' LYS . . . -108.56 -141.3 9.5 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.72 -0.752 . . . . 72.450000000000003 111.267 176.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 4.6 m-20 73.46 -47.41 0.66 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.544 0.738 . . . . 74.409999999999997 111.706 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.37 -82.99 0.18 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.035 -0.602 . . . . 74.109999999999999 112.1 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -93.52 92.04 7.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.69 0.281 . . . . 74.140000000000001 110.892 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.473 ' HB3' ' HA2' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -103.44 -7.67 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.038 -0.528 . . . . 74.409999999999997 110.551 177.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -115.11 136.37 53.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.805 -0.634 . . . . 74.420000000000002 109.709 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.444 HD23 HG13 ' A' ' 47' ' ' VAL . 92.6 mt -106.88 129.48 54.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.45 -0.341 . . . . 63.409999999999997 110.505 -177.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.564 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 16.0 m-20 -85.36 137.44 32.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.269 0.557 . . . . 71.450000000000003 110.986 -177.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.621 ' HB3' ' HD1' ' A' ' 8' ' ' TRP . 6.5 pt-20 -60.67 126.99 29.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.367 -0.833 . . . . 70.420000000000002 111.442 -179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.51 -10.48 66.94 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.833 -0.698 . . . . 54.5 113.333 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.564 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 14.3 pt20 -86.75 157.37 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.508 0.654 . . . . 71.230000000000004 110.266 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' ' 66' ' ' ALA . . . -96.21 141.87 29.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.494 -0.321 . . . . 73.150000000000006 110.504 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.444 HG13 HD23 ' A' ' 41' ' ' LEU . 23.6 m -134.55 155.96 39.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.311 -0.404 . . . . 73.109999999999999 110.247 176.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 m -107.78 134.72 50.34 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.549 -0.538 . . . . 74.019999999999996 109.549 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.493 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 42.9 p90 -150.47 177.78 9.68 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.871 0.367 . . . . 75.219999999999999 111.058 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -106.02 140.51 38.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.54 -0.754 . . . . 75.420000000000002 110.005 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.803 ' HB ' ' HG2' ' A' ' 2' ' ' GLU . 10.6 p -81.69 133.1 29.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.176 0.513 . . . . 65.430000000000007 111.549 -176.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -132.89 138.86 47.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.872 -0.604 . . . . 75.219999999999999 109.484 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -85.35 125.29 32.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.847 0.356 . . . . 74.209999999999994 110.112 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.82 -148.41 19.15 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.789 -0.641 . . . . 63.32 112.765 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -64.74 -67.75 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.935 0.398 . . . . 73.030000000000001 111.753 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -121.72 13.62 10.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.311 -0.404 . . . . 74.5 111.025 -177.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.67 169.93 42.73 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.468 -0.873 . . . . 71.109999999999999 112.307 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.95 132.7 13.1 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.745 2.296 . . . . 75.430000000000007 112.134 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 27' ' ' PHE . 13.9 pt20 -119.02 162.31 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.107 -0.497 . . . . 71.5 110.866 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.07 120.48 31.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.684 -0.689 . . . . 61.219999999999999 111.101 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.496 ' HA ' ' HB2' ' A' ' 32' ' ' ALA . . . -117.79 138.28 52.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.666 -0.494 . . . . 72.140000000000001 109.666 175.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 59.86 88.57 0.07 Allowed 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.875 -0.417 . . . . 74.519999999999996 109.875 -174.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.0 t -100.91 111.85 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 64.439999999999998 111.224 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -97.41 142.91 28.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.466 -0.788 . . . . 74.200000000000003 109.954 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -75.63 133.83 40.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.157 0.503 . . . . 73.310000000000002 111.236 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.776 -1.107 . . . . 52.140000000000001 108.811 174.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.477 ' HG3' ' NE ' ' A' ' 20' ' ' ARG . 3.4 mm-40 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.891 0.377 . . . . 74.329999999999998 111.025 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.37 116.77 32.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.003 -1.11 . . . . 71.099999999999994 108.003 170.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.41 177.38 23.86 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.318 -0.944 . . . . 63.329999999999998 112.492 -175.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 35.9 m -110.99 137.41 48.65 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.672 0.272 . . . . 75.209999999999994 110.395 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.41 106.57 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.488 -0.56 . . . . 75.019999999999996 109.488 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HG3' ' CE3' ' A' ' 8' ' ' TRP . 4.9 tppp? -64.38 -50.63 66.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.921 -0.581 . . . . 75.430000000000007 110.349 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.415 ' CE3' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -158.79 173.94 15.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 71.510000000000005 110.782 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.632 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 5.2 p90 -142.31 93.67 2.56 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.923 -0.769 . . . . 75.519999999999996 108.923 174.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.701 HD22 ' HB2' ' A' ' 15' ' ' PHE . 5.8 p-10 -71.81 83.85 0.92 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.498 0.666 . . . . 75.340000000000003 111.438 -172.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.84 -16.79 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.638 -0.71 . . . . 74.310000000000002 110.282 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -54.35 -40.63 68.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.891 -1.049 . . . . 65.239999999999995 109.842 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -123.21 -1.42 8.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.432 -0.349 . . . . 74.230000000000004 111.414 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.54 57.33 3.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.068 -0.587 . . . . 54.43 113.197 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.701 ' HB2' HD22 ' A' ' 10' ' ' ASN . 92.2 m-85 -147.7 -178.74 6.42 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.526 -0.546 . . . . 74.109999999999999 109.526 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.632 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -138.04 167.12 25.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.45 -0.881 . . . . 62.140000000000001 112.384 174.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.495 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 59.7 m-85 -134.96 135.24 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.66 0.23 . . . . 75.0 110.521 177.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.508 HG13 ' CG2' ' A' ' 28' ' ' VAL . 72.0 mt -120.2 146.99 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.792 -0.448 . . . . 63.020000000000003 109.792 174.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 11.5 pt-20 -101.8 139.15 37.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.026 0.441 . . . . 65.129999999999995 111.006 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.477 ' NE ' ' HG3' ' A' ' 2' ' ' GLU . 60.7 mtp180 -126.36 160.3 30.81 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.437 -0.579 . . . . 65.230000000000004 109.437 174.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.33 -20.65 64.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.941 0.4 . . . . 74.239999999999995 110.776 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -103.79 19.59 19.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 71.010000000000005 110.157 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.86 120.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.991 -0.623 . . . . 72.430000000000007 111.81 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.559 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 10.9 p-10 -99.41 56.63 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.603 0.716 . . . . 71.430000000000007 111.245 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -149.93 80.52 1.38 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.534 -0.757 . . . . 72.530000000000001 109.911 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 60.6 t -118.95 123.27 71.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.642 -0.708 . . . . 74.310000000000002 110.226 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -76.09 116.3 16.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.09 0.471 . . . . 75.430000000000007 111.42 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.512 ' HB ' ' HA3' ' A' ' 16' ' ' GLY . 47.9 t -86.11 128.17 39.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.019 -0.537 . . . . 74.239999999999995 110.069 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -102.77 140.0 37.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.638 -0.71 . . . . 73.099999999999994 109.755 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -74.1 -16.57 61.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.59 -0.277 . . . . 74.519999999999996 111.644 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.2 t -76.2 -9.21 58.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.414 0.626 . . . . 74.519999999999996 109.79 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.29 20.18 16.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.67 -0.696 . . . . 73.420000000000002 110.279 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 tp -59.21 152.75 4.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.576 -0.738 . . . . 73.329999999999998 111.062 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 6.0 pt20 -59.14 167.39 1.74 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.314 0.578 . . . . 74.510000000000005 111.684 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.45 174.37 8.0 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.458 -0.792 . . . . 72.120000000000005 112.614 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.0 147.88 6.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.453 0.645 . . . . 72.129999999999995 112.26 -175.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.86 -51.05 0.87 Allowed Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.233 -0.894 . . . . 74.049999999999997 111.13 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -147.68 113.89 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.324 -0.251 . . . . 74.150000000000006 110.324 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 10.6 37.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.497 0.665 . . . . 74.5 109.922 176.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m -121.46 148.96 43.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.232 -0.895 . . . . 72.299999999999997 109.586 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.9 mt -107.54 173.81 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.74 0.305 . . . . 71.019999999999996 110.739 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.45 ' N ' HE21 ' A' ' 45' ' ' GLN . 12.9 m-20 -146.77 136.57 23.19 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.11 -0.496 . . . . 62.530000000000001 110.15 -173.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.05 112.17 2.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.905 -0.588 . . . . 74.439999999999998 110.413 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.09 6.51 36.77 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.399 -0.905 . . . . 73.099999999999994 113.904 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.45 HE21 ' N ' ' A' ' 42' ' ' ASP . 27.8 pt20 -101.91 136.42 41.77 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.557 1.178 . . . . 73.129999999999995 110.754 174.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -87.67 150.1 23.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.696 -0.684 . . . . 74.230000000000004 112.304 -172.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -147.48 174.84 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.391 -0.822 . . . . 74.310000000000002 110.257 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.2 m -124.12 133.21 53.65 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.896 -1.15 . . . . 64.409999999999997 107.896 170.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.42 ' CE1' HG21 ' A' ' 18' ' ' ILE . 28.2 p90 -149.24 165.29 32.33 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.437 -0.505 . . . . 74.340000000000003 111.477 -169.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -99.51 138.77 36.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.851 -0.613 . . . . 73.420000000000002 109.386 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.16 115.56 48.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.371 0.605 . . . . 74.140000000000001 110.401 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -114.83 122.83 47.56 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.986 -0.552 . . . . 72.319999999999993 110.142 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.611 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 45.0 mt-10 -65.88 113.59 4.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 73.510000000000005 110.228 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -99.5 -148.31 22.82 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.737 -0.744 . . . . 65.209999999999994 113.345 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.4 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.798 0.839 . . . . 74.439999999999998 112.445 -175.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -114.24 -12.13 12.51 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.0 -0.28 . . . . 75.310000000000002 111.333 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.39 159.21 27.97 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.405 -0.903 . . . . 74.140000000000001 112.002 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.611 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 41.9 Cg_endo -69.32 132.65 24.49 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.411 2.074 . . . . 75.109999999999999 111.253 176.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -113.37 145.3 41.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.057 0.456 . . . . 74.450000000000003 110.768 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.13 115.58 24.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.459 -0.792 . . . . 75.319999999999993 110.411 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.07 138.71 52.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.839 -0.619 . . . . 73.400000000000006 109.4 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 56.87 88.6 0.05 Allowed 'General case' 0 CA--C 1.513 -0.477 0 O-C-N 123.484 0.49 . . . . 73.510000000000005 109.915 -171.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 34' ' ' GLN . 58.8 t -104.34 106.83 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 C-N-CA 120.364 -0.534 . . . . 71.420000000000002 110.076 177.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -93.91 140.14 30.05 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.499 -0.556 . . . . 72.319999999999993 109.499 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -78.66 131.22 36.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.989 0.423 . . . . 74.450000000000003 111.414 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.795 -0.622 . . . . 74.540000000000006 109.673 176.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.482 ' OE1' HG13 ' A' ' 51' ' ' VAL . 4.0 mp0 . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 109.437 -0.579 . . . . 73.010000000000005 109.437 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -100.37 124.74 46.24 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.547 -0.461 . . . . 72.329999999999998 109.813 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.57 168.61 23.8 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 121.009 -0.615 . . . . 61.530000000000001 111.758 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.2 m -95.89 129.09 43.24 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.86 0.362 . . . . 73.200000000000003 110.737 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.05 111.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.003 -0.544 . . . . 74.409999999999997 109.738 176.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.531 ' HE2' ' HB3' ' A' ' 19' ' ' GLU . 11.3 tppt? -67.18 -56.84 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.34 -0.615 . . . . 73.409999999999997 109.34 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.55 ' HA ' ' HB3' ' A' ' 43' ' ' GLU . 30.3 t90 -178.28 141.06 0.23 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.888 -1.051 . . . . 75.099999999999994 109.224 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.427 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 7.1 p90 -83.29 94.24 7.88 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.425 -0.583 . . . . 74.030000000000001 109.425 176.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.56 87.24 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.543 0.687 . . . . 72.109999999999999 111.774 -175.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.64 -18.97 65.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.293 -0.867 . . . . 74.209999999999994 110.206 176.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.72 -41.17 70.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.245 -0.889 . . . . 73.420000000000002 109.738 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -94.57 -30.69 14.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.369 -0.832 . . . . 75.019999999999996 109.708 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.62 25.56 8.08 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.79 -0.641 . . . . 63.509999999999998 112.48 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -143.59 -168.81 2.93 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.113 -0.329 . . . . 74.010000000000005 110.113 -174.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -112.9 155.37 16.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.748 -0.739 . . . . 62.210000000000001 111.707 177.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.761 ' CZ ' ' HA ' ' A' ' 25' ' ' ASP . 39.8 t80 -131.16 133.17 45.3 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.468 -0.567 . . . . 72.510000000000005 109.468 178.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.3 mt -135.85 148.44 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.598 -0.273 . . . . 74.030000000000001 110.459 -175.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 10.0 pt-20 -101.53 128.26 47.85 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.402 0.62 . . . . 74.120000000000005 110.743 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HD3' ' HB3' ' A' ' 2' ' ' GLU . 3.9 tpm_? -118.44 159.35 23.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.588 -0.733 . . . . 74.439999999999998 109.027 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.73 -33.23 74.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.116 0.484 . . . . 54.5 111.006 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -15.56 59.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.927 -0.579 . . . . 74.310000000000002 110.263 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.77 128.29 0.96 Allowed Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.176 -0.77 . . . . 61.329999999999998 111.176 -176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.554 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 6.8 p-10 -96.6 56.87 1.56 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.612 0.72 . . . . 73.450000000000003 110.936 -177.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.761 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 4.8 p-10 -150.21 39.33 0.75 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.039 -0.982 . . . . 75.549999999999997 110.114 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -86.84 119.41 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.594 -0.73 . . . . 74.340000000000003 110.56 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -88.56 122.86 32.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 75.109999999999999 110.815 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.3 t -92.05 127.74 44.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.159 -0.473 . . . . 75.230000000000004 110.538 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -90.19 147.46 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.251 -0.431 . . . . 72.109999999999999 110.243 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 33' ' ' ILE . 55.9 t80 -71.23 -19.45 62.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.23 0.538 . . . . 74.349999999999994 110.252 -175.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -80.32 -16.52 54.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.1 -0.5 . . . . 73.299999999999997 110.578 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.422 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -100.21 -16.96 17.58 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.012 0.375 . . . . 73.150000000000006 112.012 -174.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 30' ' ' PHE . 10.1 tp -73.51 145.27 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 110.01 -0.366 . . . . 73.230000000000004 110.01 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.593 ' OE1' ' HA ' ' A' ' 64' ' ' GLN . 8.8 pt20 -94.25 152.73 18.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.72 0.295 . . . . 73.049999999999997 110.538 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.64 89.02 0.84 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.408 -0.901 . . . . 72.010000000000005 111.243 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -83.22 -16.74 45.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.723 0.773 . . . . 73.099999999999994 110.109 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.02 -39.12 1.21 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 109.677 -1.369 . . . . 73.120000000000005 109.677 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -123.09 151.89 41.6 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.17 -1.048 . . . . 74.329999999999998 108.17 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.85 26.27 1.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.244 0.545 . . . . 74.319999999999993 111.663 -175.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.7 m -152.56 158.43 42.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.531 -0.544 . . . . 71.010000000000005 109.531 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD11 HG12 ' A' ' 47' ' ' VAL . 97.4 mt -107.71 173.74 6.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.716 0.293 . . . . 75.409999999999997 110.719 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.77 123.11 35.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 75.5 109.989 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.55 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -67.95 118.28 10.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.263 0.554 . . . . 63.32 110.246 178.114 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.12 -7.55 23.24 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.771 -0.65 . . . . 62.299999999999997 112.737 -176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -96.39 159.09 15.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.16 0.48 . . . . 75.140000000000001 110.294 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.55 136.04 38.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.591 0.234 . . . . 73.319999999999993 110.612 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.471 HG12 HD11 ' A' ' 41' ' ' LEU . 31.2 m -136.52 164.88 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.419 -0.355 . . . . 73.230000000000004 110.323 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.493 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 6.8 m -108.02 145.57 33.76 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.342 -0.614 . . . . 74.420000000000002 109.342 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.627 ' HE2' ' HB ' ' A' ' 51' ' ' VAL . 44.8 p90 -160.73 171.17 19.33 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.615 0.245 . . . . 73.239999999999995 110.771 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -108.26 109.53 20.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.199 -0.455 . . . . 75.239999999999995 109.845 170.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.627 ' HB ' ' HE2' ' A' ' 49' ' ' PHE . 7.3 p -84.57 113.13 22.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.543 0.687 . . . . 64.430000000000007 111.085 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -111.64 131.4 55.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 74.010000000000005 110.255 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 37.0 mt-10 -80.39 112.0 17.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.736 -0.468 . . . . 74.140000000000001 109.736 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.22 -148.48 21.73 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.608 -0.724 . . . . 73.329999999999998 113.478 -171.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -58.13 -37.16 74.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.431 -0.385 . . . . 73.219999999999999 111.63 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -122.51 -63.05 1.31 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.36 -0.382 . . . . 73.25 111.208 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.0 175.41 17.24 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.265 -0.969 . . . . 63.329999999999998 113.088 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.558 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 17.8 Cg_exo -66.99 128.58 18.96 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.462 2.775 . . . . 75.510000000000005 112.306 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -126.17 144.34 50.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.814 -0.63 . . . . 73.209999999999994 110.619 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.74 118.14 24.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.846 -0.616 . . . . 74.519999999999996 111.135 -176.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.422 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -120.79 147.97 44.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.795 -0.638 . . . . 64.439999999999998 109.478 175.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 10.9 m-80 59.52 89.26 0.06 Allowed 'General case' 0 C--O 1.238 0.478 0 O-C-N 123.41 0.444 . . . . 74.129999999999995 110.16 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.0 t -103.14 136.29 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 71.010000000000005 110.993 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.593 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 25.2 tt0 -127.02 130.31 49.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.72 -0.673 . . . . 74.140000000000001 109.85 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -70.9 138.16 49.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.308 . . . . 74.430000000000007 110.407 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.546 -0.74 . . . . 74.209999999999994 110.227 -179.716 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.709 ' HG3' HG22 ' A' ' 51' ' ' VAL . 2.4 mm-40 . . . . . 0 C--O 1.234 0.283 0 CA-C-O 120.9 0.381 . . . . 74.120000000000005 110.394 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -146.39 148.46 32.36 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.928 -0.768 . . . . 71.510000000000005 108.928 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.98 169.68 38.98 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.27 -0.967 . . . . 72.510000000000005 112.703 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 4.7 m -102.03 130.33 48.56 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.294 -0.261 . . . . 61.329999999999998 110.294 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.2 111.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.552 -0.536 . . . . 75.150000000000006 109.552 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -85.05 -41.67 15.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.296 -0.411 . . . . 71.319999999999993 111.116 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -149.99 149.21 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.977 -0.289 . . . . 74.519999999999996 110.349 -173.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -131.96 93.89 3.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.916 0.388 . . . . 74.329999999999998 110.564 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.945 HD22 ' HB2' ' A' ' 15' ' ' PHE . 1.7 p-10 -81.39 82.39 7.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.949 0.881 . . . . 71.099999999999994 110.468 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.14 -27.26 67.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 72.010000000000005 112.184 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -4.37 48.84 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.843 -0.343 . . . . 73.519999999999996 111.636 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -124.36 -5.78 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 72.329999999999998 110.651 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.82 49.59 13.36 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.992 -0.549 . . . . 62.520000000000003 113.905 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.945 ' HB2' HD22 ' A' ' 10' ' ' ASN . 66.1 m-85 -144.84 148.19 33.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.182 -0.303 . . . . 72.209999999999994 110.182 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -112.48 139.67 15.79 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.326 -0.94 . . . . 61.109999999999999 111.114 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 25' ' ' ASP . 71.3 t80 -112.13 133.14 54.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.005 0.431 . . . . 75.519999999999996 110.108 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.436 HG21 ' CE1' ' A' ' 49' ' ' PHE . 57.7 mt -126.44 144.36 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.922 -0.581 . . . . 75.329999999999998 110.788 -175.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.593 ' HG3' ' CB ' ' A' ' 24' ' ' ASP . 34.1 tt0 -111.47 130.52 55.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.702 -0.681 . . . . 75.409999999999997 110.336 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -118.61 166.78 12.31 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.088 -0.338 . . . . 74.219999999999999 110.088 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.67 -36.89 84.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.349 0.595 . . . . 75.230000000000004 110.588 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -102.71 20.48 17.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.782 -0.644 . . . . 73.010000000000005 110.741 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.35 104.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.356 -0.926 . . . . 72.239999999999995 112.618 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.593 ' CB ' ' HG3' ' A' ' 19' ' ' GLU . 11.6 p-10 -91.67 57.77 3.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.427 0.632 . . . . 65.340000000000003 110.804 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 37.9 t70 -161.93 78.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 71.019999999999996 109.717 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.429 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 46.7 t -130.19 139.62 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 71.409999999999997 109.908 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' A' ' 59' ' ' GLN . 98.1 m-85 -114.92 123.28 48.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.888 0.375 . . . . 75.200000000000003 110.954 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.619 HG11 HD11 ' A' ' 41' ' ' LEU . 11.6 p -97.09 137.37 24.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.918 0.39 . . . . 73.430000000000007 110.606 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -107.77 148.52 29.38 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.276 -0.875 . . . . 73.140000000000001 109.687 177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.471 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 98.3 m-85 -70.75 -11.33 60.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.945 0.402 . . . . 74.040000000000006 110.891 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 m -67.93 -14.07 62.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.041 -0.527 . . . . 64.450000000000003 111.384 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.37 23.2 3.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 74.030000000000001 111.17 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.66 HD13 ' HG ' ' A' ' 41' ' ' LEU . 10.2 tp -81.02 151.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.6 . . . . 74.140000000000001 111.769 -173.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.55 -176.46 4.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.754 -0.657 . . . . 73.340000000000003 110.972 176.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . -147.51 -142.48 3.69 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.733 -0.746 . . . . 73.049999999999997 112.517 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 69.03 89.4 0.1 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.594 0.712 . . . . 72.430000000000007 111.15 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.9 -77.66 2.04 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.326 -0.852 . . . . 75.319999999999993 111.586 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -106.22 101.74 11.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.197 0.522 . . . . 74.120000000000005 110.408 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -85.35 -3.39 58.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.542 -0.754 . . . . 73.430000000000007 110.08 179.608 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 p -103.23 163.64 12.12 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.565 -0.743 . . . . 71.319999999999993 109.662 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.66 ' HG ' HD13 ' A' ' 33' ' ' ILE . 55.8 mt -107.02 128.99 54.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.878 0.37 . . . . 74.450000000000003 110.355 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.411 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 37.3 t70 -99.45 126.84 45.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.754 -0.657 . . . . 72.140000000000001 109.762 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -57.84 123.14 14.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.883 -0.599 . . . . 63.030000000000001 110.955 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.88 -15.1 11.26 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.912 -0.661 . . . . 73.319999999999993 113.034 -176.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.411 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 23.9 pt20 -100.71 149.93 23.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 117.659 0.729 . . . . 73.329999999999998 110.699 177.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -94.33 144.95 25.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.296 -0.411 . . . . 72.129999999999995 110.787 177.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.7 m -140.55 159.57 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 71.510000000000005 110.934 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 m -99.77 144.94 28.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.945 -0.761 . . . . 72.540000000000006 108.945 176.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' A' ' 62' ' ' ASN . 48.0 p90 -169.99 153.58 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.754 0.312 . . . . 74.5 110.282 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -97.16 141.96 29.66 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.266 -0.574 . . . . 74.439999999999998 109.677 174.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.709 HG22 ' HG3' ' A' ' 2' ' ' GLU . 77.3 t -87.52 114.14 25.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.114 0.483 . . . . 64.349999999999994 111.001 -177.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -96.02 115.53 27.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.484 -0.78 . . . . 72.319999999999993 109.676 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.52 108.99 4.03 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.338 -0.616 . . . . 74.530000000000001 109.338 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.75 -148.12 18.45 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.953 -0.642 . . . . 72.329999999999998 112.169 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -78.57 -25.85 45.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.83 0.348 . . . . 74.439999999999998 111.097 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -144.17 -64.79 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 74.519999999999996 111.409 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.86 155.88 22.2 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.493 -0.861 . . . . 55.329999999999998 112.552 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.32 116.69 4.4 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 123.003 2.469 . . . . 75.030000000000001 110.932 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' A' ' 27' ' ' PHE . 14.0 pt20 -106.88 151.29 25.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.939 0.4 . . . . 73.310000000000002 111.086 -176.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.445 ' HB2' HG21 ' A' ' 28' ' ' VAL . . . -80.99 118.7 22.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.927 -0.579 . . . . 72.329999999999998 111.127 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.66 139.62 51.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.495 -0.775 . . . . 74.120000000000005 109.192 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 27.7 m-80 56.66 85.52 0.08 Allowed 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.015 0.436 . . . . 75.120000000000005 109.997 -173.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -98.95 126.65 52.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.65 -0.704 . . . . 74.120000000000005 110.283 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -121.0 142.92 49.34 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.249 -0.648 . . . . 74.140000000000001 109.249 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -66.71 132.65 48.57 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.236 -0.283 . . . . 72.310000000000002 110.236 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.803 -0.617 . . . . 53.149999999999999 110.272 -179.531 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 121.503 0.668 . . . . 72.439999999999998 109.467 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.56 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 35.1 tt0 -98.77 153.76 18.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.089 -0.96 . . . . 74.030000000000001 110.171 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.98 -178.98 29.8 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.888 -0.672 . . . . 64.129999999999995 111.87 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.8 m -106.5 130.37 54.3 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.556 0.217 . . . . 62.119999999999997 110.502 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.82 116.83 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.582 -0.281 . . . . 74.340000000000003 110.54 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -79.99 -62.35 1.71 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.686 -0.487 . . . . 74.340000000000003 109.686 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.512 ' HD1' ' H ' ' A' ' 9' ' ' PHE . 4.2 t90 176.42 151.19 0.15 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.349 -0.611 . . . . 72.200000000000003 109.349 -177.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.81 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 9.3 m-85 -88.72 87.64 7.32 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.609 -0.886 . . . . 72.439999999999998 108.609 168.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.87 98.59 0.07 Allowed 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 122.052 0.93 . . . . 72.230000000000004 110.953 -160.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.22 -10.65 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 113.458 -1.701 . . . . 64.209999999999994 114.329 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -54.52 -37.6 65.57 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.975 -0.75 . . . . 73.129999999999995 108.975 167.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -116.11 -30.43 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.316 -0.857 . . . . 75.040000000000006 109.968 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.9 60.37 1.78 Allowed Glycine 0 C--N 1.332 0.338 0 N-CA-C 111.032 -0.827 . . . . 72.299999999999997 111.032 -173.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.43 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 33.5 m-85 -164.49 146.71 8.64 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 121.134 -0.226 . . . . 73.549999999999997 110.645 -164.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.81 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -89.98 141.49 16.04 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 119.398 -1.382 . . . . 64.510000000000005 114.27 -162.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 34.3 m-85 -122.01 134.54 54.8 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 114.897 -0.652 . . . . 75.230000000000004 109.653 170.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 52.4 mt -116.14 142.68 28.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-N 115.336 -0.847 . . . . 75.439999999999998 110.176 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.719 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 40.7 tt0 -101.7 124.86 48.05 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.434 -0.803 . . . . 72.109999999999999 110.643 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.661 ' HD3' ' CZ ' ' A' ' 49' ' ' PHE . 15.0 mtm180 -134.39 -171.86 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.808 -0.633 . . . . 73.109999999999999 109.697 176.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.61 -24.53 63.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.934 0.397 . . . . 75.219999999999999 110.769 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -85.3 -6.38 59.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 72.430000000000007 110.812 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.84 177.81 16.71 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.739 . . . . 64.230000000000004 112.208 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.719 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 8.5 p-10 -98.98 58.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.641 0.734 . . . . 71.340000000000003 110.369 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.4 28.15 4.69 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.659 -0.7 . . . . 64.109999999999999 111.303 -177.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 60.7 t -85.55 112.08 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.442 -0.503 . . . . 72.349999999999994 110.203 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -76.76 107.32 8.99 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.037 -0.529 . . . . 74.319999999999993 111.612 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.436 HG22 HG13 ' A' ' 18' ' ' ILE . 38.8 t -94.41 125.49 47.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.201 -0.454 . . . . 73.200000000000003 111.027 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -99.39 164.59 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.667 -0.697 . . . . 75.25 110.181 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 33' ' ' ILE . 22.0 p90 -66.38 -18.81 65.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.089 -0.505 . . . . 74.209999999999994 112.079 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.5 p -77.09 -11.29 59.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.036 0.446 . . . . 41.399999999999999 111.156 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.597 ' O ' HG12 ' A' ' 63' ' ' VAL . . . -82.79 -37.68 24.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.239 -0.437 . . . . 74.129999999999995 111.331 -178.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 30' ' ' PHE . 2.1 mp -49.98 128.39 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 123.895 0.747 . . . . 63.409999999999997 112.213 -172.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.599 ' NE2' HG11 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -83.09 159.38 22.12 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.894 -0.594 . . . . 75.400000000000006 110.143 -179.237 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.96 87.62 1.37 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.448 -0.882 . . . . 45.399999999999999 112.699 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -113.52 -77.24 0.58 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.854 -0.795 . . . . 73.519999999999996 108.854 171.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.83 23.55 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 114.631 -1.168 . . . . 73.409999999999997 110.314 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 40' ' ' SER . 55.6 m-85 -128.52 105.46 8.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.538 -0.331 . . . . 74.530000000000001 110.237 -174.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -82.21 -17.84 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.634 0.731 . . . . 74.140000000000001 109.089 174.711 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 38' ' ' PHE . 18.4 m -119.0 154.24 33.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.942 -1.026 . . . . 75.299999999999997 108.428 172.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.536 ' HB2' ' HE1' ' A' ' 9' ' ' PHE . 81.0 mt -106.62 147.41 29.53 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.647 -0.421 . . . . 73.230000000000004 110.726 -176.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 31.6 t70 -83.79 122.66 28.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.681 . . . . 73.340000000000003 110.58 -177.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.69 129.71 41.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.532 0.682 . . . . 74.329999999999998 111.163 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.28 -7.86 44.03 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.563 -0.827 . . . . 73.310000000000002 112.723 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 25.4 pt20 -89.8 150.98 22.02 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 117.405 0.603 . . . . 65.430000000000007 110.562 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.25 135.85 35.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.004 -0.544 . . . . 71.150000000000006 110.301 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.6 m -139.97 148.06 23.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.322 -0.399 . . . . 75.340000000000003 110.456 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.572 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 4.8 m -98.17 152.87 18.91 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.599 -0.889 . . . . 74.120000000000005 108.599 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.661 ' CZ ' ' HD3' ' A' ' 20' ' ' ARG . 51.5 p90 -159.75 163.8 34.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 118.683 0.674 . . . . 75.400000000000006 111.466 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -93.58 108.81 20.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.775 -0.648 . . . . 63.539999999999999 109.65 173.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.564 ' HB ' ' HE1' ' A' ' 49' ' ' PHE . 7.4 p -88.65 128.55 40.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.927 -0.579 . . . . 74.439999999999998 110.932 -177.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -132.16 136.23 46.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.53 . . . . 73.5 110.146 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -108.49 109.89 21.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 74.439999999999998 110.387 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.13 -147.63 9.33 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.637 -0.985 . . . . 64.349999999999994 110.637 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -89.41 13.29 14.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.745 0.783 . . . . 75.120000000000005 109.78 176.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -117.66 -162.26 0.86 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.716 -1.129 . . . . 75.129999999999995 108.691 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.463 ' O ' ' HG3' ' A' ' 59' ' ' GLN . . . -67.77 167.44 41.66 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.693 -0.765 . . . . 74.030000000000001 112.5 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.1 121.32 8.75 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.001 2.468 . . . . 75.109999999999999 111.594 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 63.0 mt-30 -112.91 142.84 45.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.077 0.465 . . . . 73.549999999999997 111.301 -172.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.28 120.34 39.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.434 -0.803 . . . . 73.209999999999994 110.541 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.06 136.91 55.01 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.566 -0.531 . . . . 73.310000000000002 109.566 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 62.48 98.78 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.588 0.555 . . . . 74.120000000000005 110.618 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.599 HG11 ' NE2' ' A' ' 34' ' ' GLN . 7.4 p -105.65 116.9 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.905 0.859 . . . . 72.200000000000003 111.191 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.572 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 21.5 tt0 -86.94 147.74 25.63 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.598 -1.183 . . . . 75.519999999999996 110.068 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -83.15 148.61 27.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.478 -0.328 . . . . 75.409999999999997 110.231 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.409 -0.805 . . . . 72.319999999999993 110.306 -179.144 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.448 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 28.4 mm-40 . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 121.088 0.471 . . . . 72.340000000000003 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.51 ' NE2' ' HB2' ' A' ' 46' ' ' ALA . 17.8 tm0? -99.0 134.47 41.78 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.663 -0.699 . . . . 75.310000000000002 109.23 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.55 156.12 26.81 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.3 -0.952 . . . . 45.439999999999998 112.413 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m -111.64 121.72 45.89 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.113 -0.329 . . . . 71.349999999999994 110.113 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.08 114.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.126 -0.324 . . . . 64.019999999999996 110.126 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.583 ' HE3' ' HB2' ' A' ' 19' ' ' GLU . 40.2 ttmt -88.32 -52.71 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.4 -0.364 . . . . 74.340000000000003 111.017 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -163.4 174.4 11.99 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.882 -0.414 . . . . 75.510000000000005 109.882 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -129.5 94.39 3.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.627 0.727 . . . . 74.420000000000002 109.919 176.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.47 93.1 0.47 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.443 0.64 . . . . 75.430000000000007 111.074 -177.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.31 -25.33 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.236 -0.893 . . . . 75.439999999999998 111.684 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.35 -42.72 74.22 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.341 0.591 . . . . 70.400000000000006 110.289 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -97.09 -19.86 18.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.653 -0.703 . . . . 71.530000000000001 110.262 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.72 42.66 12.94 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.612 -0.722 . . . . 71.239999999999995 113.129 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -148.1 170.9 16.79 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.935 -0.395 . . . . 73.310000000000002 109.935 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 27' ' ' PHE . . . -98.52 140.74 15.19 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.641 -0.79 . . . . 64.439999999999998 111.314 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 25' ' ' ASP . 69.5 t80 -112.63 132.46 55.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.211 0.529 . . . . 73.230000000000004 110.767 -177.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.496 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 78.6 mt -127.29 139.93 50.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-N 115.431 -0.804 . . . . 75.519999999999996 110.676 -175.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.867 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 40.3 tt0 -104.36 146.58 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.695 -0.684 . . . . 75.120000000000005 110.601 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 27.4 mtp180 -135.71 179.75 6.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 73.140000000000001 110.796 175.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' OE1' ' HB3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.92 -30.51 58.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.612 -0.722 . . . . 74.129999999999995 110.712 179.159 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.32 5.75 22.19 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.425 -0.352 . . . . 64.340000000000003 111.125 178.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.22 168.38 12.42 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.962 -0.637 . . . . 52.25 111.81 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.867 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 12.7 p-10 -124.17 108.78 12.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.369 0.604 . . . . 71.219999999999999 111.071 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.507 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 30.2 t70 -170.07 26.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.299 -0.864 . . . . 72.349999999999994 108.776 176.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.496 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 41.9 t -89.13 115.94 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 115.608 -0.724 . . . . 73.299999999999997 110.102 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 57.1 m-85 -100.05 123.15 43.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.073 0.463 . . . . 74.200000000000003 111.096 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.5 p -94.82 138.56 20.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.896 -0.593 . . . . 73.510000000000005 110.046 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -98.73 154.2 18.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 72.239999999999995 109.973 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -67.48 -38.24 84.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.901 0.381 . . . . 72.319999999999993 111.024 -175.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -77.2 -2.84 36.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 72.120000000000005 111.218 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.58 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . . . -95.49 -5.29 43.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.146 0.498 . . . . 74.319999999999993 110.565 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.4 mt -88.22 149.62 4.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.573 -0.739 . . . . 75.430000000000007 109.571 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.6 pm0 -79.09 9.54 4.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.799 0.333 . . . . 53.229999999999997 111.745 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.67 173.39 16.05 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.877 -0.678 . . . . 62.32 112.393 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -115.38 -63.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.273 -0.64 . . . . 74.109999999999999 109.273 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.81 -33.36 75.3 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 110.977 -0.849 . . . . 71.140000000000001 110.977 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -91.33 87.97 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.906 -0.405 . . . . 73.25 109.906 173.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' H ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -112.69 11.01 19.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.553 0.692 . . . . 74.019999999999996 109.741 178.034 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 p -117.18 146.49 43.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.329 -0.851 . . . . 73.510000000000005 110.243 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.6 mt -117.16 152.19 35.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.284 -0.416 . . . . 73.230000000000004 110.19 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.5 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 28.7 t70 -84.86 129.53 34.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.216 -0.447 . . . . 63.539999999999999 110.935 -178.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.73 119.96 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 75.400000000000006 111.087 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.04 -7.21 37.69 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.782 -0.723 . . . . 63.219999999999999 113.08 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.595 ' OE1' ' HE2' ' A' ' 65' ' ' LYS . 24.1 pt20 -86.92 153.16 21.82 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 117.348 0.574 . . . . 74.019999999999996 110.665 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB2' ' NE2' ' A' ' 3' ' ' GLN . . . -95.79 139.4 32.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.744 -0.662 . . . . 74.540000000000006 110.253 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.79 165.07 32.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.041 0.448 . . . . 74.530000000000001 110.819 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -124.74 135.12 52.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.978 -0.749 . . . . 72.430000000000007 108.978 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -146.09 170.05 17.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.861 0.362 . . . . 72.200000000000003 111.167 -175.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -103.19 109.92 21.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.82 -0.627 . . . . 73.420000000000002 109.44 174.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.448 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 8.9 p -73.76 134.7 29.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.357 0.598 . . . . 72.430000000000007 111.253 -173.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -122.41 150.88 41.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.438 -0.801 . . . . 74.340000000000003 109.109 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -79.92 129.06 34.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.926 0.393 . . . . 71.519999999999996 110.435 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.23 179.24 36.25 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.955 -0.858 . . . . 74.519999999999996 110.955 175.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -72.49 -37.23 68.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.958 0.379 . . . . 74.239999999999995 111.351 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.8 mtm-85 -132.57 10.81 4.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.55 -0.46 . . . . 72.310000000000002 111.73 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.01 160.45 26.79 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.99 -1.1 . . . . 62.119999999999997 112.582 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -71.15 127.74 13.88 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.083 2.522 . . . . 73.219999999999999 111.962 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -111.38 138.48 47.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.059 0.457 . . . . 74.239999999999995 110.851 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.27 114.6 23.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.771 -0.65 . . . . 74.129999999999995 110.175 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.58 ' HA ' ' HB2' ' A' ' 32' ' ' ALA . . . -120.28 154.96 34.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.803 -0.635 . . . . 71.019999999999996 109.621 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 51.66 76.4 0.17 Allowed 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.462 0.476 . . . . 74.239999999999995 110.625 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.34 138.26 20.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.832 -0.622 . . . . 73.450000000000003 110.7 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -135.2 145.64 47.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.102 -0.499 . . . . 70.150000000000006 109.671 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.595 ' HE2' ' OE1' ' A' ' 45' ' ' GLN . 26.5 tptp -66.45 126.22 28.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.051 -0.352 . . . . 75.010000000000005 110.051 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.495 -0.764 . . . . 52.340000000000003 110.853 -178.537 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.207 -0.664 . . . . 73.430000000000007 109.207 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -133.36 138.03 46.13 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.675 -0.491 . . . . 73.340000000000003 109.675 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.85 -169.23 16.43 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.778 -0.725 . . . . 73.409999999999997 112.132 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.6 m -125.7 138.37 53.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.814 0.34 . . . . 62.109999999999999 110.847 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.97 122.4 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.473 -0.566 . . . . 72.400000000000006 109.473 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -93.91 -46.01 7.37 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.945 -0.302 . . . . 73.430000000000007 111.447 -175.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.429 ' CZ3' ' HB3' ' A' ' 10' ' ' ASN . 9.0 t90 -167.5 167.07 13.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.779 -0.452 . . . . 75.030000000000001 109.779 -177.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.463 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 20.4 p90 -157.04 110.33 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.396 0.617 . . . . 74.219999999999999 111.217 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.758 HD22 ' HB2' ' A' ' 15' ' ' PHE . 3.7 p-10 -80.86 80.67 7.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.781 0.801 . . . . 71.400000000000006 110.37 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.34 -24.86 65.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.942 -1.026 . . . . 71.530000000000001 112.103 -175.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -34.92 74.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.47 -0.332 . . . . 74.019999999999996 111.153 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HB2' HD21 ' A' ' 10' ' ' ASN . 58.0 mttp -112.78 -2.93 14.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 75.299999999999997 111.277 -178.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.452 ' HA2' ' HE2' ' A' ' 30' ' ' PHE . . . 79.18 46.41 8.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.985 -0.626 . . . . 53.420000000000002 113.281 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.758 ' HB2' HD22 ' A' ' 10' ' ' ASN . 72.5 m-85 -145.83 177.96 8.53 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.819 -0.437 . . . . 75.510000000000005 109.819 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.463 ' CA ' ' HA ' ' A' ' 9' ' ' PHE . . . -174.26 -175.96 42.27 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.846 -0.692 . . . . 51.140000000000001 111.995 174.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.54 134.63 45.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.858 0.361 . . . . 75.409999999999997 110.464 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.3 mt -131.29 146.66 33.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.128 -0.693 . . . . 73.329999999999998 109.128 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.598 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 9.6 pt-20 -100.83 127.81 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.367 0.603 . . . . 73.120000000000005 112.052 -174.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -98.95 156.73 16.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.802 -1.185 . . . . 74.400000000000006 107.802 167.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.86 -8.54 53.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.117 0.414 . . . . 70.049999999999997 112.117 -174.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -112.43 -1.25 15.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.908 0.385 . . . . 75.120000000000005 110.584 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.67 104.69 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.954 -0.641 . . . . 73.150000000000006 111.926 -176.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.598 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.6 p-10 -93.95 58.3 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.468 0.651 . . . . 74.109999999999999 111.569 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -161.44 44.8 0.17 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.523 0.678 . . . . 74.299999999999997 110.843 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.2 t -86.98 131.38 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 64.239999999999995 110.078 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -82.97 115.33 21.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.241 -0.436 . . . . 75.409999999999997 110.415 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.565 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 10.3 p -101.97 145.7 11.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.187 0.518 . . . . 75.120000000000005 110.726 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.414 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 0.5 OUTLIER -129.94 155.22 46.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.482 -0.781 . . . . 73.209999999999994 109.052 177.151 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.544 ' HA ' HG12 ' A' ' 33' ' ' ILE . 73.3 m-85 -67.32 -15.88 63.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.509 0.559 . . . . 72.340000000000003 112.509 -170.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.414 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.7 m -69.63 -18.78 63.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.809 0.338 . . . . 62.32 110.979 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -91.04 -11.19 39.53 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.142 0.496 . . . . 72.310000000000002 110.715 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.544 HG12 ' HA ' ' A' ' 30' ' ' PHE . 45.5 mm -74.04 138.55 20.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.598 -0.728 . . . . 71.219999999999999 109.666 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -69.03 149.02 49.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.235 -0.439 . . . . 73.340000000000003 110.593 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 36' ' ' ASP . . . -91.41 170.98 34.58 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.842 -0.903 . . . . 71.430000000000007 110.842 173.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 8.9 t70 72.49 115.01 0.05 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.395 0.617 . . . . 74.530000000000001 111.168 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.78 -111.76 3.32 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.914 -0.66 . . . . 45.240000000000002 112.595 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -82.02 88.67 6.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.867 0.365 . . . . 65.150000000000006 110.927 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 17.95 10.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.751 0.786 . . . . 74.120000000000005 110.414 177.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.0 m -148.53 139.4 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.184 -0.916 . . . . 55.119999999999997 109.065 173.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.2 mt -107.87 136.6 47.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.796 0.331 . . . . 61.240000000000002 111.341 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.519 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 15.6 m-20 -84.25 122.76 29.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.644 . . . . 75.230000000000004 110.068 175.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.99 136.69 58.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.205 0.526 . . . . 75.329999999999998 110.255 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.97 -24.3 19.31 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.736 -0.745 . . . . 74.239999999999995 112.505 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 28.5 pt20 -85.23 150.13 25.01 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 117.514 0.657 . . . . 74.450000000000003 110.645 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.17 140.14 30.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.693 -0.685 . . . . 74.409999999999997 110.533 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.457 HG11 ' HD2' ' A' ' 65' ' ' LYS . 18.3 m -142.66 149.01 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.814 -0.63 . . . . 74.5 110.798 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.0 m -74.97 134.63 41.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.598 -1.26 . . . . 75.530000000000001 107.598 169.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.785 ' CE2' ' HB2' ' A' ' 60' ' ' ALA . 5.3 t80 -148.0 144.34 27.88 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.807 -0.757 . . . . 75.340000000000003 111.808 -164.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -105.34 167.27 9.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 53.140000000000001 110.387 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.9 p -142.6 136.52 27.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.276 0.56 . . . . 73.430000000000007 111.038 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.665 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 51.4 mm-40 -111.1 152.83 26.51 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.523 -0.762 . . . . 74.530000000000001 109.452 175.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.3 119.58 22.55 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.059 0.457 . . . . 74.349999999999994 110.326 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' A' ' 57' ' ' GLY . . . -96.07 170.73 27.79 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.793 -0.718 . . . . 75.120000000000005 112.9 -175.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -70.93 -39.77 72.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.239 0.542 . . . . 75.420000000000002 110.441 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -104.94 -52.28 2.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.702 -0.681 . . . . 72.129999999999995 110.094 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.465 ' O ' ' HA3' ' A' ' 54' ' ' GLY . . . -143.37 172.85 24.61 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.448 -0.796 . . . . 44.229999999999997 111.142 178.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -57.07 125.94 20.59 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.693 2.262 . . . . 74.209999999999994 112.171 -179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.665 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 9.7 pt20 -96.39 134.39 39.6 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.459 -0.571 . . . . 75.439999999999998 109.459 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.785 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . . . -76.52 145.72 38.93 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.896 -0.593 . . . . 70.019999999999996 111.666 -175.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -152.8 153.72 33.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.309 -0.405 . . . . 75.120000000000005 111.072 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 54.34 93.53 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.752 0.821 . . . . 72.430000000000007 112.755 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.633 HG21 ' HE1' ' A' ' 49' ' ' PHE . 62.1 t -83.29 129.72 37.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.803 -0.635 . . . . 75.340000000000003 110.068 170.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -136.38 125.45 24.44 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.917 -0.771 . . . . 71.430000000000007 108.917 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HD2' HG11 ' A' ' 47' ' ' VAL . 25.2 tptp -70.9 130.95 42.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.364 0.602 . . . . 75.420000000000002 111.912 -174.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.796 0 CA-C-N 115.035 -0.984 . . . . 72.310000000000002 109.345 172.702 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.444 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 76.0 mm-40 . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 121.155 0.502 . . . . 72.120000000000005 111.419 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -139.93 118.34 12.15 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.647 -0.872 . . . . 74.209999999999994 108.647 172.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.59 -169.75 19.63 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.118 -1.039 . . . . 64.230000000000004 112.788 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 m -104.78 133.32 49.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.682 0.277 . . . . 75.219999999999999 110.482 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.29 111.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.014 -0.365 . . . . 73.310000000000002 110.014 178.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.428 ' HZ1' ' CG ' ' A' ' 24' ' ' ASP . 16.8 ttmm -78.61 -64.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.067 -0.515 . . . . 74.030000000000001 110.583 -176.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -176.24 142.82 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.642 -0.708 . . . . 73.239999999999995 109.393 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.629 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 31.9 p90 -138.64 123.25 18.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.076 0.465 . . . . 74.120000000000005 110.709 -178.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.497 HD21 ' HB2' ' A' ' 13' ' ' LYS . 1.2 p-10 -70.63 86.14 0.65 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.535 0.683 . . . . 63.350000000000001 110.6 176.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.74 -20.58 65.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.312 -0.858 . . . . 75.319999999999993 111.213 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.19 -33.15 67.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.007 -0.542 . . . . 75.200000000000003 110.204 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HB2' HD21 ' A' ' 10' ' ' ASN . 14.2 mmmm -103.48 -19.84 14.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 72.120000000000005 110.34 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.73 21.07 32.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.999 -0.619 . . . . 73.530000000000001 112.327 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -138.17 174.25 10.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.416 -0.587 . . . . 75.5 109.416 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.629 ' HA3' ' HA ' ' A' ' 9' ' ' PHE . . . 174.33 -166.62 38.66 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.38 -0.914 . . . . 74.200000000000003 112.542 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 95.9 m-85 -125.32 134.94 52.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.409 0.624 . . . . 74.5 111.372 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.528 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 61.9 mt -109.68 147.97 13.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.29 -0.868 . . . . 73.420000000000002 108.67 171.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -100.31 130.79 46.47 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.318 -0.623 . . . . 73.439999999999998 109.318 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -84.14 170.38 13.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.838 0.351 . . . . 73.340000000000003 110.524 -172.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.92 -46.64 62.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.174 -0.466 . . . . 73.549999999999997 109.918 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -93.64 -21.97 19.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.531 . . . . 72.430000000000007 111.27 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.98 -149.42 4.99 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.409 -0.9 . . . . 74.129999999999995 113.129 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.428 ' CG ' ' HZ1' ' A' ' 7' ' ' LYS . 29.7 t0 -145.38 -177.64 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.993 -0.373 . . . . 65.010000000000005 109.993 -177.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 63.75 85.39 0.13 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.753 0.821 . . . . 74.450000000000003 112.919 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.528 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 91.1 t -123.51 116.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.846 -0.615 . . . . 75.420000000000002 109.564 168.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -71.02 104.4 2.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.177 0.513 . . . . 71.099999999999994 110.655 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 p -95.0 144.83 9.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.835 -0.432 . . . . 71.329999999999998 109.835 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -138.35 138.83 38.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.466 -0.568 . . . . 75.310000000000002 109.466 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.469 ' HA ' HD12 ' A' ' 33' ' ' ILE . 42.0 p90 -51.57 -31.65 25.38 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.166 0.802 . . . . 72.439999999999998 113.166 -170.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 p -70.38 -13.3 62.08 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.357 0.503 . . . . 73.120000000000005 112.357 -175.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.84 -7.24 52.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.86 0.362 . . . . 63.310000000000002 111.342 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 30' ' ' PHE . 2.5 mp -90.27 134.66 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.097 0.475 . . . . 74.109999999999999 110.628 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -126.87 152.37 47.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.702 -0.681 . . . . 75.010000000000005 109.379 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.63 -164.5 35.42 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.197 -1.001 . . . . 53.149999999999999 112.155 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -86.18 -5.99 59.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.02 0.438 . . . . 64.430000000000007 110.539 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.3 55.96 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.779 -0.929 . . . . 65.109999999999999 110.779 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -131.17 117.76 19.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.89 0.376 . . . . 73.439999999999998 111.491 -173.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -117.55 1.48 12.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.722 0.772 . . . . 72.299999999999997 108.926 167.171 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.2 t -138.96 146.2 40.68 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.53 -1.214 . . . . 71.25 109.411 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -107.68 158.55 17.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.111 0.482 . . . . 71.329999999999998 110.767 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.407 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 11.2 m-20 -91.85 121.35 33.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.042 -0.526 . . . . 72.030000000000001 110.033 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.65 131.0 43.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.092 -0.504 . . . . 74.209999999999994 110.237 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.71 -10.75 56.11 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.631 -0.795 . . . . 65.329999999999998 112.649 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.407 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 18.9 pt20 -88.84 156.59 18.85 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 117.227 0.514 . . . . 73.5 110.175 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.464 ' O ' ' HB1' ' A' ' 66' ' ' ALA . . . -98.88 129.72 45.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.013 -0.54 . . . . 70.299999999999997 109.857 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.28 162.19 40.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.036 0.446 . . . . 74.129999999999995 110.873 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.2 m -116.92 148.52 41.28 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.628 -0.878 . . . . 73.549999999999997 108.628 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.522 ' CE1' HG12 ' A' ' 26' ' ' VAL . 22.9 p90 -162.92 160.55 25.0 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.24 0.543 . . . . 72.030000000000001 111.123 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -87.06 148.05 25.43 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.493 -0.928 . . . . 71.200000000000003 108.493 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.0 p -102.63 130.9 51.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.379 0.609 . . . . 75.299999999999997 111.918 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.489 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 23.5 mm-40 -104.0 140.16 38.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.342 -0.845 . . . . 74.340000000000003 109.857 173.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.02 148.29 46.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.782 0.325 . . . . 63.439999999999998 110.448 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 57' ' ' GLY . . . -132.28 157.2 22.39 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.779 -0.724 . . . . 71.450000000000003 111.45 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -86.21 4.81 37.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.118 0.485 . . . . 72.049999999999997 110.752 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -137.52 -52.39 0.65 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.391 -0.822 . . . . 75.049999999999997 109.159 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.413 ' O ' ' HA3' ' A' ' 54' ' ' GLY . . . -150.44 162.82 29.41 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.043 -0.823 . . . . 71.409999999999997 111.043 176.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.1 143.63 44.94 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.599 2.199 . . . . 72.310000000000002 112.365 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.489 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 24.6 pt20 -115.11 160.43 19.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.966 0.413 . . . . 74.430000000000007 110.615 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.5 129.56 36.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.769 -0.651 . . . . 73.409999999999997 111.143 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.36 136.61 39.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.702 -0.481 . . . . 64.319999999999993 109.702 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 61.48 88.35 0.09 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.157 0.503 . . . . 74.0 110.18 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -91.87 113.61 27.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.144 0.497 . . . . 74.329999999999998 111.16 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -92.95 125.09 37.37 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.047 -0.723 . . . . 73.230000000000004 109.047 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -69.98 120.29 15.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.135 0.493 . . . . 74.530000000000001 111.283 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.245 0.862 0 CA-C-N 115.592 -0.731 . . . . 70.140000000000001 109.135 174.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.72 ' HB3' HH11 ' A' ' 20' ' ' ARG . 5.7 mm-40 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.942 0.401 . . . . 73.510000000000005 110.735 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -139.22 146.28 40.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.253 -0.647 . . . . 75.299999999999997 109.253 174.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.55 162.27 29.86 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.445 -0.883 . . . . 62.409999999999997 112.453 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 30.4 m -101.43 125.33 48.05 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 110.317 -0.253 . . . . 74.540000000000006 110.317 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.33 111.83 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.23 -0.656 . . . . 71.230000000000004 109.23 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.444 ' HD2' ' HB2' ' A' ' 19' ' ' GLU . 82.1 tttt -88.07 -55.98 3.52 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.012 -0.275 . . . . 74.219999999999999 111.113 -172.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -158.95 138.64 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.0 -0.28 . . . . 73.120000000000005 110.821 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.404 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 65.4 t80 -98.65 99.9 11.07 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.726 -0.472 . . . . 71.209999999999994 109.726 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.921 HD21 ' HB2' ' A' ' 13' ' ' LYS . 4.8 p-10 -71.81 82.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.962 0.887 . . . . 74.140000000000001 110.519 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.74 -26.56 68.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.759 -1.11 . . . . 73.120000000000005 112.32 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -72.64 -11.35 60.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.184 0.516 . . . . 72.129999999999995 110.914 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.921 ' HB2' HD21 ' A' ' 10' ' ' ASN . 30.7 mmmt -113.55 -21.23 10.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.037 -0.529 . . . . 74.549999999999997 110.091 173.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.5 26.73 24.48 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.83 -0.623 . . . . 74.540000000000006 112.548 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.722 ' HB2' HD22 ' A' ' 10' ' ' ASN . 96.4 m-85 -135.07 -178.22 5.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.552 -0.381 . . . . 75.319999999999993 109.998 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -140.4 154.22 23.97 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.738 -0.744 . . . . 63.140000000000001 111.6 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -111.5 134.36 53.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.995 0.426 . . . . 64.239999999999995 110.305 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.533 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 30.8 mt -114.59 136.13 52.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 CA-C-N 115.567 -0.742 . . . . 74.329999999999998 109.746 175.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.758 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 36.7 tt0 -103.31 123.39 46.7 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.25 -0.887 . . . . 73.129999999999995 110.074 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.72 HH11 ' HB3' ' A' ' 2' ' ' GLU . 11.8 ttp180 -122.66 176.3 6.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.896 -0.779 . . . . 75.230000000000004 108.896 176.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.535 ' H ' ' HG2' ' A' ' 20' ' ' ARG . 10.5 mm-40 -67.65 -7.26 25.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.017 0.436 . . . . 75.329999999999998 111.189 -178.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.03 12.61 25.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 71.420000000000002 110.779 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.95 155.7 9.16 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.62 -0.8 . . . . 74.430000000000007 112.85 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.758 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 18.7 p-10 -98.6 57.62 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.659 0.743 . . . . 75.430000000000007 110.103 177.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -122.51 15.51 10.37 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.563 -0.744 . . . . 73.400000000000006 110.45 -173.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.533 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 49.1 t -87.08 120.49 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.352 -0.385 . . . . 75.150000000000006 110.9 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -88.38 144.89 26.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 64.140000000000001 111.244 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 m -138.81 149.09 23.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 116.022 -0.535 . . . . 75.530000000000001 111.146 173.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -145.68 178.49 8.11 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.639 -0.874 . . . . 64.200000000000003 108.639 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 33' ' ' ILE . 94.4 m-85 -63.8 -10.02 17.87 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.658 0.614 . . . . 74.310000000000002 112.658 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -69.53 -19.18 63.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.146 0.498 . . . . 75.349999999999994 110.647 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.578 ' O ' HG22 ' A' ' 63' ' ' VAL . . . -102.8 -25.07 13.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.96 -0.564 . . . . 73.109999999999999 112.021 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 30' ' ' PHE . 11.4 tp -63.07 148.48 11.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 123.545 0.528 . . . . 73.219999999999999 111.972 -170.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.468 HE21 ' HB2' ' A' ' 38' ' ' PHE . 13.6 pt20 -80.25 -178.65 6.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.466 -0.788 . . . . 71.129999999999995 109.975 176.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -135.23 -155.08 7.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.563 -0.827 . . . . 64.099999999999994 111.692 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 71.87 -56.4 0.64 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.308 0.643 . . . . 74.409999999999997 111.928 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.69 -51.92 0.3 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.747 -0.739 . . . . 54.149999999999999 113.235 -176.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.468 ' HB2' HE21 ' A' ' 34' ' ' GLN . 98.2 m-85 -119.09 117.16 27.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.508 -0.407 . . . . 71.510000000000005 110.934 -176.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -94.76 0.65 55.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.367 0.603 . . . . 73.450000000000003 110.007 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.7 m -151.16 157.56 42.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 72.530000000000001 109.71 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.454 HD13 HG23 ' A' ' 47' ' ' VAL . 98.7 mt -113.98 165.0 13.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.011 0.434 . . . . 74.099999999999994 111.175 -175.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.547 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 0.9 OUTLIER -84.11 126.71 33.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.402 -0.817 . . . . 51.329999999999998 111.037 179.838 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.72 114.71 7.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.201 -0.666 . . . . 62.229999999999997 109.201 174.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.28 -1.34 26.69 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.5 -0.857 . . . . 72.329999999999998 112.868 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.547 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 15.8 pt20 -102.37 152.84 20.63 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 117.423 0.612 . . . . 73.230000000000004 110.023 177.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -93.66 134.37 36.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.049 -0.523 . . . . 75.439999999999998 110.033 177.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.454 HG23 HD13 ' A' ' 41' ' ' LEU . 1.3 m -140.75 154.85 21.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.989 0.423 . . . . 73.049999999999997 110.696 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.59 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 25.1 m -86.31 137.72 32.38 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.96 -0.563 . . . . 62.219999999999999 109.886 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.629 ' CZ ' HG23 ' A' ' 63' ' ' VAL . 8.5 m-85 -141.61 147.13 37.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 73.510000000000005 111.294 -175.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.66 103.45 15.14 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.166 -0.679 . . . . 74.430000000000007 109.166 170.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.568 HG12 ' HG3' ' A' ' 2' ' ' GLU . 11.0 p -95.8 141.37 15.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.048 0.452 . . . . 64.530000000000001 111.941 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -134.15 142.79 47.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.756 -0.656 . . . . 71.25 109.869 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 2.0 mp0 -85.46 118.65 25.12 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.243 -0.435 . . . . 70.340000000000003 110.758 -176.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.75 164.89 23.06 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.691 -0.766 . . . . 74.239999999999995 111.285 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -78.03 63.74 3.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.349 . . . . 75.230000000000004 111.098 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 171.73 -26.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.523 -0.762 . . . . 75.219999999999999 109.352 -177.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.49 151.85 7.35 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.08 -0.808 . . . . 73.530000000000001 111.08 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.549 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 57.2 Cg_endo -73.7 120.37 6.39 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.313 2.009 . . . . 64.030000000000001 112.064 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -112.64 144.0 42.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.06 0.457 . . . . 74.239999999999995 109.832 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' A' ' 51' ' ' VAL . . . -96.95 132.6 42.57 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.118 -0.492 . . . . 51.340000000000003 110.126 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.517 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . . . -122.54 169.01 11.44 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.258 -0.645 . . . . 71.219999999999999 109.258 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 58.84 94.44 0.03 OUTLIER 'General case' 0 C--O 1.242 0.66 0 CA-C-O 120.816 0.341 . . . . 74.200000000000003 110.965 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.629 HG23 ' CZ ' ' A' ' 49' ' ' PHE . 61.9 t -82.99 134.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.815 -0.63 . . . . 71.239999999999995 111.084 176.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.59 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 60.7 tt0 -133.94 125.17 27.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.805 -0.813 . . . . 65.239999999999995 108.805 171.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -61.85 131.31 49.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.157 0.503 . . . . 74.230000000000004 111.385 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.245 0.835 0 CA-C-N 115.461 -0.79 . . . . 53.229999999999997 109.366 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.13 -0.322 . . . . 74.299999999999997 110.13 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? -131.33 125.73 33.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.073 -0.714 . . . . 73.510000000000005 109.073 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . -162.8 -153.11 7.06 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.116 -1.04 . . . . 70.450000000000003 112.937 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.0 m -132.66 142.59 49.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.644 -0.278 . . . . 74.209999999999994 110.287 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' A' ' 41' ' ' LEU . 46.8 t -71.17 124.37 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.826 -0.435 . . . . 75.129999999999995 109.826 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -95.89 -42.26 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.075 -0.25 . . . . 75.439999999999998 111.559 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -160.28 159.38 31.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.833 -0.432 . . . . 75.0 109.833 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.452 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 6.4 p90 -141.87 110.96 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.402 0.62 . . . . 75.329999999999998 110.262 177.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.526 HD22 ' HB2' ' A' ' 15' ' ' PHE . 7.5 p-10 -81.48 81.98 7.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 122.37 1.081 . . . . 74.219999999999999 110.058 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.81 -16.72 64.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.692 -1.14 . . . . 73.120000000000005 111.089 -177.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.49 ' HG3' ' HZ2' ' A' ' 13' ' ' LYS . 17.3 tp10 -56.85 -31.31 64.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.727 -0.67 . . . . 73.540000000000006 111.067 177.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.49 ' HZ2' ' HG3' ' A' ' 12' ' ' GLU . 31.6 mmtm -125.64 0.44 7.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.496 -0.32 . . . . 73.340000000000003 111.372 177.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.487 ' HA2' ' HE2' ' A' ' 30' ' ' PHE . . . 81.71 42.71 8.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.639 -0.791 . . . . 73.439999999999998 113.078 174.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.526 ' HB2' HD22 ' A' ' 10' ' ' ASN . 94.2 m-85 -137.09 -173.68 3.52 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.452 -0.573 . . . . 74.409999999999997 109.452 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 9' ' ' PHE . . . -172.07 176.14 45.19 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.665 -0.778 . . . . 51.130000000000003 111.888 173.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -121.63 133.0 54.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.672 -0.492 . . . . 75.019999999999996 109.672 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.9 mt -112.57 143.93 21.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.876 -0.602 . . . . 73.239999999999995 109.533 177.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.698 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 37.2 tt0 -101.25 117.33 34.76 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.917 -0.583 . . . . 71.420000000000002 110.031 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 24.2 ptt180 -107.05 -174.86 2.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.547 -0.908 . . . . 74.150000000000006 108.547 175.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.87 -45.4 78.2 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.944 -0.303 . . . . 65.25 111.11 -177.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -96.8 18.59 14.15 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.536 0.569 . . . . 75.140000000000001 112.536 -175.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.466 ' O ' ' HG2' ' A' ' 20' ' ' ARG . . . 165.95 137.88 2.3 Favored Glycine 0 C--O 1.227 -0.319 0 C-N-CA 119.449 -1.358 . . . . 70.299999999999997 113.691 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.698 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 12.4 p-10 -115.24 58.08 0.72 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.564 0.697 . . . . 73.120000000000005 110.032 178.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -152.48 30.35 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.339 -0.846 . . . . 52.119999999999997 109.381 -175.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.76 120.06 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.829 -0.623 . . . . 70.209999999999994 110.681 -176.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -73.9 111.81 9.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.029 -0.532 . . . . 73.040000000000006 111.094 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 p -98.79 138.92 21.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.21 0.528 . . . . 72.209999999999994 110.313 176.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -125.98 149.91 48.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.419 -0.809 . . . . 72.209999999999994 109.307 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.635 ' HA ' HG12 ' A' ' 33' ' ' ILE . 65.2 m-85 -64.94 -14.67 60.7 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.112 0.412 . . . . 74.329999999999998 112.112 -175.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 m -70.58 -3.51 18.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.984 0.421 . . . . 62.219999999999999 111.01 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.71 11.13 16.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 73.400000000000006 110.985 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.635 HG12 ' HA ' ' A' ' 30' ' ' PHE . 50.9 mm -87.77 134.23 28.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.551 -0.295 . . . . 71.209999999999994 110.538 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -80.64 -176.0 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 72.230000000000004 110.452 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.98 89.73 0.88 Allowed Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.404 -0.903 . . . . 71.5 111.67 175.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -121.38 156.77 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.1 -0.704 . . . . 71.25 109.1 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.78 -27.48 73.32 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.683 -0.77 . . . . 44.32 111.52 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -117.83 99.58 7.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.758 -0.83 . . . . 75.019999999999996 108.758 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.18 -0.03 43.14 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.189 0.518 . . . . 73.109999999999999 111.274 -171.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.514 ' HA ' ' HE1' ' A' ' 30' ' ' PHE . 37.8 m -104.05 157.61 16.99 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.085 -0.709 . . . . 63.140000000000001 109.085 173.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.515 ' HB3' HG21 ' A' ' 6' ' ' VAL . 84.9 mt -107.45 128.92 54.92 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.769 -0.372 . . . . 74.530000000000001 110.538 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -101.11 144.2 30.29 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.321 0.582 . . . . 74.019999999999996 110.804 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.04 122.86 17.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.284 -0.871 . . . . 74.25 110.123 -176.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.29 -21.64 10.71 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.297 -0.954 . . . . 65.120000000000005 113.109 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 41' ' ' LEU . 26.0 pt20 -81.27 138.21 35.76 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.573 -0.851 . . . . 71.530000000000001 110.304 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.89 134.26 33.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.774 -0.648 . . . . 74.040000000000006 110.79 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.9 m -138.61 148.23 24.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.372 0.606 . . . . 64.409999999999997 111.523 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.3 m -108.32 132.55 53.6 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.688 -1.227 . . . . 74.200000000000003 107.688 170.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -148.89 154.01 38.84 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.871 -0.418 . . . . 74.209999999999994 109.871 -171.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.547 ' HB2' HD22 ' A' ' 62' ' ' ASN . 33.7 t0 -87.06 160.22 18.67 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 119.271 -0.971 . . . . 55.329999999999998 109.665 176.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -120.21 124.08 71.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.437 0.637 . . . . 75.25 111.119 -175.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.453 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 42.7 mt-10 -95.09 124.39 39.1 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.738 -0.838 . . . . 71.430000000000007 108.738 174.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.98 128.12 35.64 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.758 -0.46 . . . . 74.200000000000003 109.758 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.53 153.47 38.89 Favored Glycine 0 N--CA 1.439 -1.108 0 C-N-CA 120.579 -0.819 . . . . 71.099999999999994 113.304 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -73.93 -20.75 60.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.737 -0.838 . . . . 63.350000000000001 108.737 171.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.0 mtp85 -150.93 -54.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.312 -1.313 . . . . 73.0 108.493 175.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.56 144.28 18.37 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.117 -0.947 . . . . 63.409999999999997 111.048 173.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -69.34 137.99 38.06 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 123.16 2.573 . . . . 71.340000000000003 112.287 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.453 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 14.1 pt20 -119.73 152.36 37.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.269 -0.423 . . . . 72.329999999999998 110.395 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.46 142.51 27.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 71.519999999999996 111.894 -175.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HB3' ' HG3' ' A' ' 52' ' ' GLU . . . -122.7 152.77 40.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.415 -0.812 . . . . 71.329999999999998 108.934 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.547 HD22 ' HB2' ' A' ' 50' ' ' ASP . 0.3 OUTLIER 23.24 101.59 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.283 1.216 . . . . 73.230000000000004 114.283 -173.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.9 t -97.12 110.41 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.584 -1.189 . . . . 74.099999999999994 110.887 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -100.91 154.15 18.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.375 -0.83 . . . . 70.129999999999995 109.56 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -81.22 130.34 34.99 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.813 -0.44 . . . . 74.340000000000003 109.813 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.613 -0.708 . . . . 65.239999999999995 110.444 -178.022 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.606 ' HG3' ' H ' ' A' ' 3' ' ' GLN . 4.5 tp10 . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 120.937 0.399 . . . . 71.439999999999998 110.042 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.606 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 23.5 tm0? -146.21 140.46 26.59 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 107.834 -1.173 . . . . 63.43 107.834 172.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.54 -153.6 8.12 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 119.461 -1.352 . . . . 71.099999999999994 113.397 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.3 m -142.53 145.73 33.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.565 -0.317 . . . . 74.319999999999993 110.202 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.89 114.38 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.73 -0.47 . . . . 75.230000000000004 109.73 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -74.15 -49.26 24.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.031 0.443 . . . . 74.349999999999994 110.175 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -166.69 171.48 11.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.846 -0.615 . . . . 74.239999999999995 109.356 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -140.35 101.57 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.514 0.674 . . . . 73.310000000000002 110.896 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.674 HD22 ' HB2' ' A' ' 15' ' ' PHE . 4.8 p-10 -77.74 82.78 4.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.721 0.772 . . . . 74.030000000000001 110.871 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.04 -19.02 63.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.3 -0.864 . . . . 73.439999999999998 111.568 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -54.34 -41.13 68.72 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.873 -0.603 . . . . 74.310000000000002 110.641 174.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.529 ' HB2' HD21 ' A' ' 10' ' ' ASN . 26.7 mmtp -106.33 -10.64 16.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.641 -0.709 . . . . 65.540000000000006 110.623 -177.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.49 36.97 18.7 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.844 -0.693 . . . . 74.140000000000001 111.744 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.674 ' HB2' HD22 ' A' ' 10' ' ' ASN . 77.8 m-85 -138.37 -174.93 3.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.566 -0.531 . . . . 73.209999999999994 109.566 -178.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.9 174.36 39.23 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 110.968 -0.853 . . . . 64.219999999999999 110.968 173.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -117.66 133.71 55.65 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.084 -0.339 . . . . 73.129999999999995 110.084 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -116.73 138.25 47.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.905 -0.589 . . . . 74.510000000000005 109.543 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 8.9 pt-20 -108.93 125.09 51.65 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.372 0.606 . . . . 65.140000000000001 110.934 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.581 ' HD3' ' HE2' ' A' ' 49' ' ' PHE . 44.1 mtm180 -102.67 168.61 9.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.496 -0.774 . . . . 73.25 110.204 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -77.0 -11.1 59.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.54 0.686 . . . . 71.299999999999997 109.779 172.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -111.0 19.58 18.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.06 -0.973 . . . . 75.430000000000007 109.63 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.63 118.11 1.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.965 -0.636 . . . . 53.32 111.914 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.585 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 5.3 p-10 -89.75 56.23 3.45 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.634 0.731 . . . . 74.319999999999993 111.512 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -156.83 95.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 72.219999999999999 110.903 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.811 HG12 ' HZ ' ' A' ' 49' ' ' PHE . 59.7 t -139.54 137.24 40.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.498 . . . . 70.430000000000007 110.127 172.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -85.78 111.33 20.05 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.181 -0.303 . . . . 75.340000000000003 110.181 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 p -96.27 140.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.259 0.552 . . . . 74.400000000000006 110.478 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -129.27 154.08 47.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.331 -0.989 . . . . 64.109999999999999 108.331 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.579 ' HA ' HD12 ' A' ' 33' ' ' ILE . 32.9 p90 -67.51 5.14 0.84 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.538 0.57 . . . . 74.319999999999993 112.538 -174.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 p -80.34 -19.57 46.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.803 0.335 . . . . 73.519999999999996 111.098 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.64 0.46 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 75.010000000000005 111.881 -177.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 30' ' ' PHE . 2.4 mp -95.58 140.55 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.35 -0.386 . . . . 74.310000000000002 110.026 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.435 HE22 ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -106.33 -170.65 1.76 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.395 -0.366 . . . . 72.099999999999994 110.456 -178.276 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.85 88.67 1.48 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.374 -0.917 . . . . 71.219999999999999 111.733 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -96.87 -20.78 17.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.561 0.696 . . . . 73.310000000000002 110.587 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.55 -39.92 2.3 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.828 -1.309 . . . . 70.109999999999999 109.828 -172.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -105.57 109.59 21.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.893 -0.78 . . . . 74.129999999999995 108.893 172.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 8.47 25.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.346 0.593 . . . . 75.310000000000002 110.606 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -120.04 162.75 18.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.326 -0.852 . . . . 74.430000000000007 109.123 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.88 147.74 29.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.75 0.31 . . . . 72.400000000000006 110.998 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.658 ' HB2' HE21 ' A' ' 45' ' ' GLN . 16.8 m-20 -111.02 132.45 54.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.955 -0.566 . . . . 64.140000000000001 110.102 178.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.36 113.31 6.57 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.237 0.541 . . . . 73.540000000000006 110.112 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.06 -4.96 28.75 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.328 -0.939 . . . . 74.209999999999994 113.534 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.658 HE21 ' HB2' ' A' ' 42' ' ' ASP . 6.9 pt20 -83.02 144.41 29.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.773 0.786 . . . . 71.019999999999996 110.34 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.6 142.87 27.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.985 -0.552 . . . . 73.319999999999993 110.78 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -145.2 153.94 14.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.25 -0.432 . . . . 74.140000000000001 111.192 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.8 m -85.91 133.72 33.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.225 -1.398 . . . . 71.409999999999997 107.225 167.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.811 ' HZ ' HG12 ' A' ' 26' ' ' VAL . 1.9 t80 -152.61 141.77 21.38 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.058 -0.657 . . . . 72.010000000000005 111.154 -165.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' HB3' ' O ' ' A' ' 61' ' ' ALA . 26.8 t70 -110.03 146.25 35.65 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.429 -0.508 . . . . 75.420000000000002 109.696 174.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.22 129.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.904 0.383 . . . . 74.129999999999995 111.025 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -116.03 136.7 52.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.174 -0.466 . . . . 75.200000000000003 109.765 174.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.68 139.32 53.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.876 -0.602 . . . . 75.319999999999993 110.374 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -131.78 174.03 20.32 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.825 -0.703 . . . . 72.109999999999999 111.845 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -64.12 107.87 1.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.484 0.183 . . . . 73.0 110.881 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 56' ' ' ARG . 44.8 mtp180 65.16 20.83 12.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.885 -0.598 . . . . 74.219999999999999 111.797 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.16 129.52 1.06 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.597 -0.811 . . . . 74.329999999999998 112.38 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.24 143.62 35.79 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.746 2.298 . . . . 74.420000000000002 111.817 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -114.62 162.65 16.49 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.118 0.485 . . . . 75.549999999999997 110.752 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.578 ' HA ' ' HE1' ' A' ' 49' ' ' PHE . . . -73.77 135.33 43.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.27 -0.877 . . . . 72.040000000000006 111.692 -177.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.445 ' O ' ' HB3' ' A' ' 50' ' ' ASP . . . -134.25 114.97 13.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.831 -0.622 . . . . 73.049999999999997 109.833 175.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 64.39 91.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.025 0.44 . . . . 74.299999999999997 110.736 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.51 101.63 12.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.2 -0.667 . . . . 72.239999999999995 109.2 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.435 ' HA ' HE22 ' A' ' 34' ' ' GLN . 62.9 tt0 -103.49 135.15 45.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.182 -0.463 . . . . 72.430000000000007 110.149 -175.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -64.04 131.45 47.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.362 -0.381 . . . . 72.299999999999997 110.559 -177.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.573 -0.727 . . . . 71.120000000000005 110.211 178.804 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 N--CA 1.444 -0.76 0 CA-C-O 121.06 0.457 . . . . 71.329999999999998 111.509 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -92.7 124.74 36.93 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.533 -0.914 . . . . 71.340000000000003 108.533 173.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.42 -157.96 13.48 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.087 -1.054 . . . . 73.040000000000006 112.691 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.3 m -117.96 138.81 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.661 0.267 . . . . 74.540000000000006 110.524 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.19 109.17 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.681 -0.488 . . . . 74.230000000000004 109.681 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -70.12 -58.31 3.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.174 -0.467 . . . . 74.239999999999995 110.124 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -166.94 140.32 3.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.014 -0.539 . . . . 74.109999999999999 109.985 -176.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.667 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 8.0 p90 -115.24 94.85 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.587 0.708 . . . . 72.400000000000006 110.108 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -68.68 89.76 0.39 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.682 -0.69 . . . . 54.439999999999998 111.707 -175.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.93 -14.32 62.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.617 -0.72 . . . . 75.439999999999998 110.445 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -55.4 -37.06 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.292 -0.867 . . . . 74.049999999999997 110.507 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -118.53 -11.79 9.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.732 -0.667 . . . . 73.219999999999999 110.643 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.26 43.58 6.2 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.876 -0.602 . . . . 65.439999999999998 112.439 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -139.41 -167.4 2.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.014 0.435 . . . . 74.430000000000007 110.633 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.667 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -162.81 160.15 32.56 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.288 -0.725 . . . . 72.040000000000006 111.288 176.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 94.0 m-85 -135.61 134.55 39.42 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.114 0.483 . . . . 73.140000000000001 110.868 178.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.526 HG12 ' CG2' ' A' ' 28' ' ' VAL . 41.4 mm -109.05 146.37 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.43 -0.805 . . . . 75.530000000000001 109.716 177.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -102.35 127.21 49.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.47 -0.567 . . . . 74.150000000000006 109.47 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -123.67 175.33 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.362 0.601 . . . . 72.319999999999993 112.309 -171.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.64 -48.3 60.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.948 -1.024 . . . . 72.439999999999998 111.112 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -97.09 -21.23 17.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.844 -0.616 . . . . 72.519999999999996 111.181 -172.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.42 152.39 21.96 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.482 -0.866 . . . . 63.140000000000001 112.874 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -112.55 143.08 44.31 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.354 -0.239 . . . . 72.099999999999994 110.354 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 54.28 77.94 0.18 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.715 -0.675 . . . . 70.150000000000006 111.609 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 40.9 t -86.14 134.35 27.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.661 -0.7 . . . . 75.439999999999998 109.327 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -70.8 109.75 5.17 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.547 0.53 . . . . 75.510000000000005 111.708 -173.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.526 ' CG2' HG12 ' A' ' 18' ' ' ILE . 46.8 t -102.96 131.44 51.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.974 -0.38 . . . . 74.450000000000003 109.974 175.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.17 151.1 50.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.87 -0.605 . . . . 72.129999999999995 109.823 178.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.438 ' HZ ' ' HD3' ' A' ' 39' ' ' LYS . 13.7 t80 -60.91 -20.74 62.53 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.153 0.427 . . . . 74.439999999999998 112.153 -170.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -64.09 -20.33 65.88 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.946 0.403 . . . . 71.340000000000003 111.287 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.513 ' CB ' ' HA ' ' A' ' 61' ' ' ALA . . . -92.1 -10.47 38.87 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.903 0.382 . . . . 72.319999999999993 111.787 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 39' ' ' LYS . 26.8 mm -80.85 137.52 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.921 -0.582 . . . . 74.340000000000003 110.67 -174.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -111.64 -176.9 3.05 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.141 -0.689 . . . . 75.049999999999997 109.141 172.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.52 88.84 1.18 Allowed Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 119.927 -1.13 . . . . 72.420000000000002 111.81 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -112.67 79.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.105 -0.702 . . . . 73.439999999999998 109.105 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.93 -55.98 3.51 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.268 -0.733 . . . . 54.310000000000002 111.268 -171.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -133.48 168.62 18.29 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.299 -0.63 . . . . 65.319999999999993 109.299 176.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.438 ' HD3' ' HZ ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -105.52 7.99 33.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.535 0.683 . . . . 72.219999999999999 109.719 173.313 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -111.08 138.34 47.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.086 -0.961 . . . . 70.319999999999993 109.017 174.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.4 mt -105.84 135.25 47.61 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.76 -0.459 . . . . 75.109999999999999 109.76 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 3.8 p-10 -96.19 125.59 40.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.604 0.716 . . . . 63.450000000000003 110.691 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' ' HE1' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -64.02 132.56 50.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.85 -0.614 . . . . 74.209999999999994 110.615 -178.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.59 -15.63 24.35 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.587 -0.733 . . . . 54.030000000000001 112.087 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 3.9 pt20 -84.39 152.01 24.33 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.856 0.36 . . . . 75.040000000000006 110.775 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.63 123.39 40.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.014 -0.539 . . . . 65.439999999999998 110.001 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.8 m -139.19 172.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.42 -0.354 . . . . 64.209999999999994 111.08 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.507 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 21.7 m -123.73 145.27 49.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.755 -0.657 . . . . 75.519999999999996 109.735 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.721 ' CE2' HG21 ' A' ' 63' ' ' VAL . 60.6 m-85 -135.61 150.2 49.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.176 0.512 . . . . 74.319999999999993 110.873 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -86.71 150.97 23.8 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.309 -0.997 . . . . 62.020000000000003 108.309 167.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p -107.58 134.64 48.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.251 0.548 . . . . 70.409999999999997 111.929 -170.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -123.33 123.57 41.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.471 -0.786 . . . . 73.230000000000004 109.915 173.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -90.36 114.62 26.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.011 0.434 . . . . 74.530000000000001 109.993 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -116.19 -171.15 16.05 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.84 -0.695 . . . . 73.329999999999998 113.032 -175.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -83.84 -18.5 37.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.884 0.374 . . . . 74.0 110.914 -176.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.733 ' HA ' ' HE ' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -91.56 -37.75 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.109 0.481 . . . . 73.400000000000006 109.977 177.408 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.5 -170.29 38.04 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.539 -0.755 . . . . 72.019999999999996 111.262 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -70.42 114.47 3.82 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.382 2.055 . . . . 74.140000000000001 111.903 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -95.97 136.96 35.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.452 . . . . 73.239999999999995 110.454 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.465 ' HB3' HG22 ' A' ' 28' ' ' VAL . . . -89.28 115.0 26.44 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.98 -0.748 . . . . 73.099999999999994 108.98 174.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.513 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . . . -121.71 164.86 16.68 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.002 -0.544 . . . . 72.030000000000001 110.152 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 51.92 90.68 0.02 OUTLIER 'General case' 0 C--O 1.242 0.67 0 O-C-N 123.43 0.456 . . . . 61.039999999999999 111.171 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.721 HG21 ' CE2' ' A' ' 49' ' ' PHE . 44.1 t -75.53 113.18 14.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 72.129999999999995 111.289 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.507 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 36.4 tt0 -106.37 135.95 46.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.254 -0.647 . . . . 74.420000000000002 109.254 175.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.449 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 13.4 tptm -86.64 148.77 25.32 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 121.044 -0.262 . . . . 72.219999999999999 110.495 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.667 -0.682 . . . . 74.129999999999995 110.07 179.264 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 26.3 mm-40 . . . . . 0 N--CA 1.446 -0.638 0 N-CA-C 109.499 -0.556 . . . . 73.219999999999999 109.499 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -114.02 143.68 44.35 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.834 -0.621 . . . . 73.0 109.797 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . 176.96 -176.46 48.06 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.594 -0.812 . . . . 74.329999999999998 112.195 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.9 m -91.04 132.55 35.94 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.838 0.351 . . . . 75.430000000000007 110.593 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 50.4 t -68.27 110.77 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.358 -0.608 . . . . 65.439999999999998 109.358 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -68.93 -61.97 1.58 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.387 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.9 t90 -178.46 140.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 75.239999999999995 109.553 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.872 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 17.6 p90 -99.34 113.69 26.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.206 0.527 . . . . 72.219999999999999 110.283 178.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -73.52 83.59 1.51 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.803 0.811 . . . . 74.109999999999999 110.959 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.49 -12.06 28.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.98 -1.009 . . . . 74.129999999999995 110.966 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -54.71 -44.87 73.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.738 -0.665 . . . . 64.510000000000005 110.405 174.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.73 -3.21 13.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 75.519999999999996 110.576 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.13 47.64 6.42 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.666 -0.697 . . . . 72.040000000000006 112.43 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -137.04 -165.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.493 -0.558 . . . . 70.25 109.493 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.872 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -157.73 161.73 31.6 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.8 -0.714 . . . . 73.239999999999995 112.034 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -129.23 133.9 47.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.932 0.396 . . . . 73.340000000000003 110.321 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.513 HG13 HG22 ' A' ' 28' ' ' VAL . 70.2 mt -129.83 145.84 35.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.232 -0.655 . . . . 61.43 109.232 176.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' O ' ' HA3' ' A' ' 4' ' ' GLY . 27.1 tt0 -111.69 119.06 37.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.752 0.31 . . . . 75.310000000000002 110.365 -176.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 85.6 mtm180 -90.03 157.63 17.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.892 0.377 . . . . 72.140000000000001 110.615 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.98 -13.47 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.824 0.821 . . . . 75.230000000000004 108.861 169.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -112.57 18.71 18.16 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.855 -1.066 . . . . 73.209999999999994 110.368 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . 157.5 108.44 0.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.217 -0.992 . . . . 51.340000000000003 112.642 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.44 143.9 46.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.841 0.353 . . . . 53.409999999999997 111.599 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.9 t70 63.94 99.4 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.179 -0.918 . . . . 74.219999999999999 112.57 175.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.1 t -120.36 134.63 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.676 -0.693 . . . . 75.140000000000001 110.185 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -81.8 106.09 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 75.140000000000001 110.626 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.513 HG22 HG13 ' A' ' 18' ' ' ILE . 62.0 t -88.43 132.01 34.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.063 -0.517 . . . . 71.230000000000004 111.056 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -118.94 177.75 4.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.899 -0.591 . . . . 54.299999999999997 109.968 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.544 ' HA ' HD12 ' A' ' 33' ' ' ILE . 50.6 p90 -67.27 -12.06 59.13 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.715 0.293 . . . . 72.409999999999997 111.486 -177.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 p -76.43 -15.87 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.093 0.473 . . . . 72.310000000000002 111.13 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' HB2' HG21 ' A' ' 63' ' ' VAL . . . -83.61 -29.67 27.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 72.120000000000005 110.694 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 30' ' ' PHE . 1.8 mp -62.63 136.95 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 73.420000000000002 110.299 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.43 176.77 5.13 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.807 -0.633 . . . . 72.219999999999999 110.734 -176.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 37' ' ' GLY . . . -78.59 -135.87 1.04 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.853 -0.689 . . . . 70.439999999999998 112.065 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 71.32 -40.02 0.47 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.255 0.622 . . . . 75.109999999999999 111.58 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 35' ' ' GLY . . . 138.2 27.13 0.31 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.793 -0.523 . . . . 61.119999999999997 111.793 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.99 161.08 15.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.246 0.546 . . . . 74.209999999999994 111.787 -175.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.28 -30.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.749 -1.114 . . . . 74.329999999999998 108.61 174.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 m -94.92 124.42 38.96 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.369 -0.832 . . . . 64.209999999999994 109.321 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.5 mt -106.63 148.03 28.81 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.784 -0.45 . . . . 73.349999999999994 109.784 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 6.2 m-20 -82.29 121.23 26.4 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.087 0.47 . . . . 74.310000000000002 110.28 -176.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.72 117.7 16.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.393 0.616 . . . . 75.409999999999997 110.179 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.45 -14.62 13.23 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.428 -0.805 . . . . 74.510000000000005 112.616 -175.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 23.9 pt20 -90.26 157.34 17.73 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.515 0.657 . . . . 74.340000000000003 110.737 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.65 135.38 40.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 73.340000000000003 110.774 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.4 m -135.49 163.8 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.338 -0.392 . . . . 54.420000000000002 110.88 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 m -119.68 134.38 55.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.409 -0.589 . . . . 75.439999999999998 109.409 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.448 ' HB3' ' HA ' ' A' ' 63' ' ' VAL . 46.4 p90 -150.38 -176.26 5.41 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 110.251 -0.277 . . . . 72.209999999999994 110.251 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -119.27 161.1 20.98 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.107 -0.637 . . . . 74.109999999999999 109.461 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.52 HG23 ' HB2' ' A' ' 58' ' ' PRO . 8.9 p -129.82 140.55 48.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 120.305 -0.558 . . . . 70.310000000000002 111.598 -172.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -103.07 102.13 12.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.957 -0.565 . . . . 65.519999999999996 109.572 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.558 ' HG2' ' HB3' ' A' ' 58' ' ' PRO . 35.9 mt-10 -85.13 120.99 27.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.096 -0.705 . . . . 54.109999999999999 109.096 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -120.75 -154.9 9.43 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.237 -0.982 . . . . 75.120000000000005 113.438 -173.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -80.27 21.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 123.393 0.677 . . . . 75.329999999999998 112.564 -172.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -155.45 -54.27 0.09 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.947 0.403 . . . . 74.219999999999999 110.248 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.68 177.88 36.0 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.622 -0.799 . . . . 62.130000000000003 111.72 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.558 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 97.7 Cg_endo -87.67 122.32 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.041 2.494 . . . . 64.040000000000006 112.645 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -100.22 133.9 43.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.77 -0.456 . . . . 71.239999999999995 109.77 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' ' 28' ' ' VAL . . . -79.67 135.3 36.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.687 0.28 . . . . 63.109999999999999 111.282 -178.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.96 139.77 34.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.014 -0.539 . . . . 73.049999999999997 110.304 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.419 ' N ' ' HA ' ' A' ' 32' ' ' ALA . 3.6 t30 55.17 97.47 0.02 OUTLIER 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.819 0.818 . . . . 74.010000000000005 112.119 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.459 HG21 ' HB2' ' A' ' 32' ' ' ALA . 86.2 t -107.16 119.46 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.327 -0.851 . . . . 73.530000000000001 111.02 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -99.9 136.57 39.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.739 -0.664 . . . . 75.340000000000003 109.299 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -63.95 124.73 22.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.46 -0.336 . . . . 75.219999999999999 110.34 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.688 0 CA-C-O 118.504 -0.76 . . . . 52.340000000000003 109.553 179.305 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.622 0.249 . . . . 74.5 111.623 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -104.5 116.97 33.02 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.375 -0.602 . . . . 74.540000000000006 109.375 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.95 -177.45 20.65 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.355 -0.926 . . . . 64.340000000000003 113.018 -174.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 m -94.01 127.56 39.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.748 0.308 . . . . 64.140000000000001 111.192 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.524 ' HA ' HG12 ' A' ' 18' ' ' ILE . 48.5 t -68.15 124.75 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.340000000000003 109.931 176.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -80.23 -56.13 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.294 -0.632 . . . . 63.119999999999997 109.294 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -176.88 154.19 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.84 -0.618 . . . . 74.530000000000001 109.671 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.401 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 8.0 p90 -106.85 102.75 12.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.605 0.717 . . . . 74.420000000000002 110.807 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.649 HD22 ' HB2' ' A' ' 15' ' ' PHE . 6.9 p-10 -77.95 77.22 4.46 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.839 0.828 . . . . 73.409999999999997 110.97 -178.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.03 -15.55 62.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.127 -0.942 . . . . 70.109999999999999 110.923 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.0 -35.04 70.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.543 -0.753 . . . . 74.230000000000004 110.387 177.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -111.89 -9.42 14.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 75.099999999999994 110.385 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.89 34.97 7.96 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.971 -0.559 . . . . 54.240000000000002 112.884 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.649 ' HB2' HD22 ' A' ' 10' ' ' ASN . 92.4 m-85 -138.11 -172.84 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.188 -0.301 . . . . 71.219999999999999 110.188 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -156.72 152.47 23.84 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.344 -0.702 . . . . 71.430000000000007 111.344 174.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -113.36 134.55 54.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.945 0.402 . . . . 74.340000000000003 110.661 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.524 HG12 ' HA ' ' A' ' 6' ' ' VAL . 57.5 mt -130.16 142.04 44.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.505 -0.77 . . . . 61.299999999999997 109.508 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -104.81 118.76 37.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.11 -0.495 . . . . 74.439999999999998 110.086 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 12.7 mmm180 -110.78 176.96 4.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.202 0.525 . . . . 70.5 111.695 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -76.6 -47.53 22.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.885 . . . . 75.519999999999996 111.626 -174.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -91.92 -16.22 26.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.115 0.483 . . . . 71.340000000000003 110.395 -176.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . -153.74 129.69 2.74 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.796 -0.716 . . . . 74.510000000000005 112.238 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -106.83 167.24 10.01 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.757 -0.46 . . . . 75.319999999999993 109.757 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 62.22 55.62 2.37 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.421 0.629 . . . . 64.519999999999996 110.28 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.28 132.89 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.736 -0.666 . . . . 75.340000000000003 110.326 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -89.3 117.42 28.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 70.430000000000007 111.126 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.513 HG13 ' HB1' ' A' ' 60' ' ' ALA . 3.1 m -106.41 149.92 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.747 -0.464 . . . . 73.439999999999998 109.747 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -126.83 140.63 52.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.499 -0.318 . . . . 75.349999999999994 110.621 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.546 ' HA ' HD11 ' A' ' 33' ' ' ILE . 89.8 t80 -53.34 -35.41 60.21 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.973 0.731 . . . . 72.329999999999998 112.973 -172.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -65.82 -10.76 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.472 0.545 . . . . 73.239999999999995 112.472 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.01 -12.62 38.07 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.053 0.454 . . . . 74.420000000000002 110.745 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' A' ' 30' ' ' PHE . 2.0 mp -83.36 133.4 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 74.049999999999997 110.292 -177.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -81.74 154.63 25.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.137 -0.483 . . . . 75.230000000000004 109.926 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.95 -149.73 25.45 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.195 -1.003 . . . . 75.409999999999997 113.249 -176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t70 68.2 98.74 0.06 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.389 0.614 . . . . 75.530000000000001 110.914 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.01 -65.12 3.94 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.563 -0.744 . . . . 72.209999999999994 112.469 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.61 147.28 40.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.154 0.502 . . . . 71.120000000000005 111.403 -176.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 20.24 0.93 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.163 -0.926 . . . . 74.540000000000006 108.734 173.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -133.36 155.43 49.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.635 -1.166 . . . . 65.340000000000003 109.386 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.9 mt -110.5 134.42 52.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.612 0.244 . . . . 65.340000000000003 110.436 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.466 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 11.2 m-20 -83.27 124.25 30.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.604 -0.517 . . . . 73.049999999999997 109.604 175.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -69.41 116.52 9.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.991 -0.549 . . . . 65.349999999999994 110.354 -179.013 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.13 -13.82 31.25 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.62 -0.8 . . . . 72.420000000000002 112.71 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 16.0 pt20 -86.41 158.24 19.65 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 117.1 0.45 . . . . 73.450000000000003 110.457 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.05 136.04 33.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.97 -0.559 . . . . 61.340000000000003 110.234 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.54 161.04 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.558 -0.292 . . . . 75.540000000000006 110.65 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 9.3 m -105.89 133.89 49.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.396 -0.366 . . . . 65.049999999999997 110.275 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.636 ' CE2' HG23 ' A' ' 63' ' ' VAL . 12.3 m-85 -136.47 158.02 45.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.111 -0.495 . . . . 74.209999999999994 109.758 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -110.51 107.41 17.04 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.59 -0.522 . . . . 75.239999999999995 109.59 170.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.38 147.03 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 63.420000000000002 111.303 -172.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -136.86 117.38 13.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.402 -0.817 . . . . 73.040000000000006 110.272 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.39 109.77 9.2 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.84 -0.8 . . . . 75.340000000000003 108.84 172.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -117.74 -148.5 8.68 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.562 -0.828 . . . . 63.399999999999999 113.732 -171.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -80.17 40.16 0.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.768 0.655 . . . . 62.130000000000003 112.768 -170.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 179.33 -27.3 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.703 0.287 . . . . 72.209999999999994 111.31 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.35 -168.93 37.51 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.713 -0.756 . . . . 75.150000000000006 111.719 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.85 103.47 1.58 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.932 2.421 . . . . 71.409999999999997 112.08 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -102.38 134.1 46.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.892 -0.595 . . . . 74.340000000000003 109.765 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.513 ' HB1' HG13 ' A' ' 28' ' ' VAL . . . -97.24 128.44 44.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.042 0.448 . . . . 73.510000000000005 111.392 -177.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.01 177.41 7.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.672 -0.694 . . . . 72.010000000000005 109.45 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 55.73 90.38 0.03 OUTLIER 'General case' 0 C--O 1.239 0.532 0 O-C-N 123.567 0.542 . . . . 72.420000000000002 110.98 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.636 HG23 ' CE2' ' A' ' 49' ' ' PHE . 47.6 t -94.67 124.43 47.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.036 -0.529 . . . . 73.430000000000007 111.732 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.532 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 35.1 tt0 -121.63 132.37 54.62 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.99 -0.744 . . . . 74.409999999999997 108.99 174.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -74.57 134.73 42.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.02 0.438 . . . . 73.329999999999998 111.271 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-N 115.612 -0.722 . . . . 74.230000000000004 109.352 173.562 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.521 ' OE2' ' HD2' ' A' ' 20' ' ' ARG . 7.6 tp10 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 109.074 -0.713 . . . . 74.040000000000006 109.074 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -136.61 147.27 46.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.762 0.315 . . . . 65.510000000000005 110.691 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.532 ' HA3' ' HA ' ' A' ' 20' ' ' ARG . . . -178.2 -150.32 8.6 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.7 -0.762 . . . . 54.140000000000001 112.592 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 m -139.0 138.8 37.57 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.169 -0.308 . . . . 74.340000000000003 110.169 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.14 122.19 17.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.583 -0.28 . . . . 73.540000000000006 111.028 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -74.48 -54.73 6.97 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.63 -0.507 . . . . 74.530000000000001 109.63 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -178.61 139.44 0.18 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.28 -0.873 . . . . 75.25 109.762 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.408 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 51.6 t80 -100.97 97.76 8.3 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.667 -0.494 . . . . 74.239999999999995 109.667 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -69.0 81.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.746 0.784 . . . . 75.230000000000004 111.384 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.06 -14.86 53.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.256 -0.884 . . . . 74.430000000000007 111.12 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -57.19 -37.48 72.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.849 -0.614 . . . . 74.230000000000004 110.209 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -104.86 -21.83 13.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.608 -0.724 . . . . 72.420000000000002 110.402 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.12 27.41 10.95 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.84 -0.695 . . . . 74.019999999999996 111.819 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.9 -170.29 3.0 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.791 -0.818 . . . . 73.209999999999994 108.791 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 9' ' ' PHE . . . -169.21 163.91 37.54 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.197 -1.001 . . . . 63.340000000000003 112.331 176.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -112.16 135.48 52.77 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.518 -0.549 . . . . 74.340000000000003 109.518 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.577 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 57.3 mt -127.43 145.06 35.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.11 0.481 . . . . 74.129999999999995 110.286 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 51.6 tt0 -101.46 145.15 29.36 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.388 -0.823 . . . . 62.549999999999997 109.164 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.532 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 16.2 ptt180 -132.69 171.4 13.91 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.188 -0.301 . . . . 74.510000000000005 110.188 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -63.06 -19.81 64.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.095 0.474 . . . . 72.540000000000006 110.821 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -102.36 13.25 35.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.709 -0.678 . . . . 74.219999999999999 111.817 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.424 ' O ' ' HG2' ' A' ' 20' ' ' ARG . . . 133.79 165.95 11.17 Favored Glycine 0 C--O 1.223 -0.551 0 C-N-CA 120.564 -0.827 . . . . 73.219999999999999 112.609 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.489 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 19.8 p-10 -95.86 56.73 1.75 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.472 0.653 . . . . 74.019999999999996 110.878 -179.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -140.66 81.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.539 0.685 . . . . 73.329999999999998 111.745 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.577 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 84.2 t -133.99 120.2 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.498 -0.774 . . . . 74.319999999999993 109.761 171.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -95.74 107.23 19.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.943 0.402 . . . . 73.540000000000006 110.729 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -99.55 150.08 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.292 -0.413 . . . . 73.340000000000003 110.883 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -144.37 164.83 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.553 . . . . 75.010000000000005 109.969 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -51.96 -40.58 61.08 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.272 0.842 . . . . 74.129999999999995 113.272 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -63.9 -3.01 2.15 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.033 0.753 . . . . 72.040000000000006 113.033 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.438 ' O ' HG21 ' A' ' 63' ' ' VAL . . . -97.97 -15.59 20.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.681 0.277 . . . . 71.519999999999996 111.627 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.413 HD11 ' N ' ' A' ' 33' ' ' ILE . 2.7 mp -87.93 141.94 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.014 -0.539 . . . . 74.200000000000003 110.896 -173.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.51 -169.6 1.7 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 62.340000000000003 109.924 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.89 89.16 0.56 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.28 -0.962 . . . . 63.409999999999997 111.833 174.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -100.3 -43.13 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.52 0.676 . . . . 72.519999999999996 110.22 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.36 -36.97 0.86 Allowed Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 109.825 -1.31 . . . . 44.229999999999997 109.825 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -106.18 168.52 9.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.149 -0.685 . . . . 75.430000000000007 109.149 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.64 13.76 24.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.347 0.594 . . . . 73.230000000000004 110.65 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 p -156.21 178.53 10.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.399 -0.819 . . . . 74.129999999999995 109.545 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -107.51 129.11 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.991 0.424 . . . . 74.430000000000007 110.829 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.502 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 2.9 m-20 -92.96 131.29 38.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.498 0.666 . . . . 73.430000000000007 111.35 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -57.88 131.41 50.3 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.942 -1.026 . . . . 73.200000000000003 110.629 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.5 -24.75 14.83 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.374 -0.917 . . . . 71.329999999999998 112.935 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.524 ' OE1' ' HE3' ' A' ' 65' ' ' LYS . 28.2 pt20 -81.0 142.01 33.84 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.024 -0.671 . . . . 74.099999999999994 110.763 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.69 135.38 39.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 65.230000000000004 110.099 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.0 m -143.47 167.48 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.269 0.556 . . . . 74.349999999999994 111.28 -177.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.581 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 24.8 m -108.26 139.47 42.91 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.205 -1.035 . . . . 72.010000000000005 108.205 171.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.514 ' CZ ' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -141.02 145.59 36.11 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 121.128 -0.229 . . . . 71.120000000000005 110.633 -170.234 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -96.97 156.58 16.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.377 -0.971 . . . . 71.310000000000002 108.377 169.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.75 131.52 62.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.473 0.654 . . . . 74.349999999999994 112.429 -171.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -119.07 103.21 9.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.11 -0.95 . . . . 75.010000000000005 109.055 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.613 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 67.9 mt-10 -71.97 123.18 22.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.032 0.444 . . . . 73.409999999999997 110.488 -177.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.3 -148.19 10.11 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.522 -0.763 . . . . 72.519999999999996 112.422 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -76.04 -34.56 59.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.809 0.338 . . . . 74.120000000000005 111.155 -174.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.45 23.46 1.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 72.010000000000005 111.712 -176.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.451 ' HA2' ' HD3' ' A' ' 58' ' ' PRO . . . -173.9 138.27 4.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.147 -1.025 . . . . 74.329999999999998 112.796 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.613 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 7.0 Cg_exo -73.1 106.32 2.13 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 123.117 2.545 . . . . 74.209999999999994 111.924 176.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -98.64 134.45 41.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.988 0.423 . . . . 74.109999999999999 110.112 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.78 146.41 24.56 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.14 -0.482 . . . . 71.420000000000002 111.745 -173.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.2 158.42 43.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.377 -0.829 . . . . 75.420000000000002 109.533 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 63.1 90.64 0.08 Allowed 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.315 0.384 . . . . 70.340000000000003 110.66 -176.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.514 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 62.0 t -83.21 138.3 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.318 -0.401 . . . . 74.409999999999997 110.242 173.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.581 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 34.8 tt0 -123.5 125.28 44.62 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.69 -0.856 . . . . 71.209999999999994 108.69 169.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.524 ' HE3' ' OE1' ' A' ' 45' ' ' GLN . 21.1 tptm -77.39 133.23 38.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 75.430000000000007 110.427 -175.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.298 -0.858 . . . . 74.400000000000006 110.202 179.802 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.478 ' OE2' ' HB3' ' A' ' 20' ' ' ARG . 33.1 tt0 . . . . . 0 N--CA 1.458 -0.07 0 N-CA-C 108.265 -1.013 . . . . 74.319999999999993 108.265 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -87.05 125.58 34.2 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.723 -0.391 . . . . 64.530000000000001 110.432 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.33 162.52 13.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.879 -0.677 . . . . 72.430000000000007 112.195 -177.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.8 m -117.12 126.12 52.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.617 0.246 . . . . 72.019999999999996 110.447 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.583 ' HA ' HG12 ' A' ' 18' ' ' ILE . 64.0 t -66.68 121.11 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 72.209999999999994 110.964 -177.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.86 -62.03 1.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.582 -0.281 . . . . 72.209999999999994 110.404 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -172.71 142.05 1.14 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.254 -0.43 . . . . 72.519999999999996 110.308 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.427 ' CZ ' HD12 ' A' ' 41' ' ' LEU . 44.3 m-85 -101.69 107.21 18.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.358 -0.383 . . . . 74.310000000000002 110.688 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -73.31 77.5 1.34 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 122.393 1.092 . . . . 73.140000000000001 109.905 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.61 -11.21 42.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.61 -1.177 . . . . 74.200000000000003 111.798 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.48 -38.9 78.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.544 . . . . 71.430000000000007 110.359 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -110.76 -7.79 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.06 0.457 . . . . 75.329999999999998 110.441 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.68 44.21 5.86 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.763 -0.732 . . . . 72.099999999999994 112.487 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -138.99 -169.56 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.52 -0.548 . . . . 74.239999999999995 109.52 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -167.37 167.13 39.72 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.479 -0.867 . . . . 50.310000000000002 112.221 175.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -120.17 135.23 55.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.658 -0.497 . . . . 74.230000000000004 109.658 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.751 HD12 ' HE2' ' A' ' 49' ' ' PHE . 27.8 mt -133.92 144.38 35.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.11 -0.496 . . . . 74.230000000000004 109.692 177.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -100.59 150.23 22.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.625 -0.261 . . . . 75.200000000000003 110.513 -174.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.484 ' HD2' HG12 ' A' ' 51' ' ' VAL . 74.2 mtp180 -116.61 174.01 6.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.994 0.426 . . . . 75.340000000000003 110.756 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -84.91 -36.51 21.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.654 -0.703 . . . . 73.120000000000005 109.414 171.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -103.7 5.17 36.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.78 -0.645 . . . . 74.519999999999996 111.566 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . -157.28 160.76 30.75 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.638 -0.792 . . . . 72.239999999999995 112.459 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -119.73 152.36 37.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.916 -0.167 . . . . 71.400000000000006 110.725 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.7 t70 46.92 79.56 0.06 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 124.355 1.035 . . . . 64.329999999999998 112.313 172.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -104.85 137.12 35.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.048 -0.524 . . . . 73.239999999999995 110.225 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -84.05 116.86 23.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.414 0.626 . . . . 74.430000000000007 111.054 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.611 HG23 ' HZ ' ' A' ' 49' ' ' PHE . 7.7 p -108.45 145.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.545 -0.752 . . . . 73.120000000000005 109.872 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.415 ' HD2' ' HB2' ' A' ' 31' ' ' SER . 0.6 OUTLIER -139.07 167.27 22.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.681 -0.691 . . . . 71.319999999999993 109.767 -178.783 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.542 ' HA ' HD13 ' A' ' 33' ' ' ILE . 95.4 m-85 -67.36 -8.53 33.41 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.999 0.37 . . . . 73.140000000000001 111.999 -172.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.415 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 3.6 m -66.88 -21.43 66.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.135 0.493 . . . . 75.400000000000006 110.238 173.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . . . -89.28 -19.42 25.36 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.753 -0.658 . . . . 74.329999999999998 110.967 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.542 HD13 ' HA ' ' A' ' 30' ' ' PHE . 1.7 mp -72.77 133.48 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.605 -0.725 . . . . 74.299999999999997 110.681 -177.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.82 -175.49 5.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.697 -0.683 . . . . 73.200000000000003 111.477 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.25 -129.45 4.02 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.873 -0.679 . . . . 65.400000000000006 112.691 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.18 127.5 32.43 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.21 0.529 . . . . 74.420000000000002 111.352 -176.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.37 -84.77 0.17 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.235 -0.746 . . . . 74.540000000000006 111.235 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -151.93 85.22 1.29 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.089 -0.708 . . . . 75.430000000000007 109.089 174.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.75 4.87 53.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.441 -0.799 . . . . 75.409999999999997 111.957 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 m -110.05 137.18 48.17 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.493 -0.558 . . . . 74.129999999999995 109.493 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.427 HD12 ' CZ ' ' A' ' 9' ' ' PHE . 89.0 mt -119.31 129.41 54.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.865 0.364 . . . . 75.329999999999998 111.127 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.474 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 1.7 m-20 -96.16 140.96 30.11 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 115.752 -0.658 . . . . 73.219999999999999 111.012 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.96 134.64 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 63.399999999999999 111.091 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.62 -10.9 62.93 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 120.51 -0.852 . . . . 65.340000000000003 113.142 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.474 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 18.2 pt20 -91.17 153.25 20.16 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 117.824 0.812 . . . . 64.329999999999998 110.676 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.403 ' O ' ' HB1' ' A' ' 66' ' ' ALA . . . -101.52 143.01 32.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.97 -0.559 . . . . 74.430000000000007 110.812 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.01 158.55 13.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.965 -0.561 . . . . 74.040000000000006 109.675 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.608 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 11.9 m -84.49 134.38 34.44 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.61 -0.885 . . . . 74.209999999999994 108.61 173.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.751 ' HE2' HD12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -136.28 145.07 45.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.785 0.326 . . . . 75.109999999999999 110.755 -170.388 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -101.14 103.75 14.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.372 0.606 . . . . 75.019999999999996 109.888 172.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.484 HG12 ' HD2' ' A' ' 20' ' ' ARG . 6.5 p -106.73 140.32 25.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.828 -0.624 . . . . 74.239999999999995 111.174 -173.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -135.09 157.42 46.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.684 -0.689 . . . . 72.219999999999999 109.892 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -96.11 110.05 22.38 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.026 -0.731 . . . . 71.310000000000002 109.026 176.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -99.99 -147.91 21.94 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.652 -0.785 . . . . 71.329999999999998 112.936 -172.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -69.99 95.24 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.607 -0.296 . . . . 74.030000000000001 110.66 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 56' ' ' ARG . 22.6 ttm-85 76.77 -42.88 0.44 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.291 -0.868 . . . . 75.439999999999998 111.761 177.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.84 152.38 18.02 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.671 -0.776 . . . . 70.019999999999996 112.879 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.17 128.97 15.41 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.939 2.426 . . . . 60.420000000000002 111.759 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -120.15 142.38 49.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.202 -0.454 . . . . 63.340000000000003 109.893 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -124.37 145.56 49.38 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.257 -0.577 . . . . 73.049999999999997 112.325 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 32' ' ' ALA . . . -139.86 169.77 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.296 -0.865 . . . . 73.140000000000001 109.428 177.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 60.38 94.23 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.45 0.3 . . . . 74.140000000000001 111.689 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.61 115.38 43.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 C-N-CA 120.041 -0.664 . . . . 75.430000000000007 110.479 173.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.608 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 55.0 tt0 -103.98 124.43 49.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.158 -0.682 . . . . 65.430000000000007 109.158 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -69.79 127.91 34.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.106 0.479 . . . . 74.209999999999994 111.695 -175.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.71 -0.677 . . . . 50.439999999999998 109.178 171.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.637 0.256 . . . . 74.340000000000003 110.344 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -102.52 117.15 34.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.651 -0.499 . . . . 75.239999999999995 109.651 178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.59 -174.64 17.02 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.266 -0.969 . . . . 73.319999999999993 113.235 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.6 m -118.07 132.38 56.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.625 0.25 . . . . 74.5 110.496 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -70.68 125.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.391 . . . . 75.340000000000003 110.368 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 43' ' ' GLU . 21.3 ttmm -81.3 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.886 -0.413 . . . . 73.120000000000005 109.886 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 21.2 t90 178.74 151.29 0.3 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.856 -0.611 . . . . 73.439999999999998 109.769 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.8 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 6.2 p90 -116.18 90.54 3.36 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 120.763 0.316 . . . . 64.129999999999995 110.458 178.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.47 90.77 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.211 0.529 . . . . 62.039999999999999 111.159 -156.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.25 -24.05 0.66 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 115.095 1.517 . . . . 70.239999999999995 115.095 -172.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.36 -27.46 67.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.164 0.507 . . . . 72.420000000000002 110.038 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 7.3 mmpt? -117.9 -20.38 8.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.302 -0.863 . . . . 75.109999999999999 109.642 170.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.1 72.94 0.92 Allowed Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.599 -0.728 . . . . 63.039999999999999 111.35 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.524 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 19.5 m-85 -156.29 122.83 5.12 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 120.036 -0.666 . . . . 73.049999999999997 111.778 -168.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.8 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -92.1 147.33 18.67 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.166 -1.016 . . . . 52.25 113.714 -167.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 69.3 m-85 -128.82 134.58 48.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.149 -0.526 . . . . 75.010000000000005 109.694 170.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.603 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 56.7 mt -107.49 147.3 12.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-N 115.545 -0.752 . . . . 74.310000000000002 109.304 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.791 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 25.9 tt0 -106.61 119.61 39.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.878 -0.601 . . . . 74.310000000000002 109.948 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.586 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -132.91 -176.37 4.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.15 0.5 . . . . 74.310000000000002 112.033 -176.405 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.3 -21.16 62.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.239 -0.891 . . . . 74.230000000000004 111.127 -177.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -103.23 13.24 34.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.301 -0.409 . . . . 73.310000000000002 110.453 -175.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.73 166.49 11.34 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.94 -0.648 . . . . 73.540000000000006 111.995 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.791 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 13.2 p-10 -120.88 56.73 1.0 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.687 0.756 . . . . 73.420000000000002 110.935 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -147.77 44.61 1.1 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.442 -0.799 . . . . 71.340000000000003 110.013 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.603 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 44.3 t -84.3 115.0 25.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 74.030000000000001 109.856 178.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -73.87 112.56 10.11 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.717 -0.674 . . . . 74.349999999999994 112.126 -173.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.532 ' HB ' ' HA3' ' A' ' 16' ' ' GLY . 47.1 t -94.14 110.69 23.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.059 -0.519 . . . . 74.219999999999999 110.046 175.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.449 ' HE1' ' HB2' ' A' ' 59' ' ' GLN . 3.0 p-80 -100.32 141.95 32.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.756 -0.656 . . . . 74.439999999999998 110.451 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.477 ' O ' HG23 ' A' ' 33' ' ' ILE . 38.2 p90 -71.5 -1.02 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.9 -0.591 . . . . 74.219999999999999 112.476 -173.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.3 p -84.14 -3.58 58.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.891 0.377 . . . . 70.409999999999997 111.271 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -124.98 8.12 8.04 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 116.321 -0.399 . . . . 61.140000000000001 111.734 -177.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.661 HD12 HG22 ' A' ' 63' ' ' VAL . 8.4 tp -91.55 137.41 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 70.519999999999996 111.089 -176.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -138.43 148.18 44.13 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.808 -0.812 . . . . 74.030000000000001 108.808 172.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.71 173.89 30.16 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.417 -0.896 . . . . 64.120000000000005 112.404 -176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -81.07 -46.2 15.35 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.326 -0.62 . . . . 74.540000000000006 109.326 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.52 30.76 0.47 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.76 -0.936 . . . . 72.549999999999997 110.76 176.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -136.97 168.51 19.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.287 -0.456 . . . . 74.540000000000006 109.981 -175.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.41 10.19 4.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.024 -0.732 . . . . 74.219999999999999 109.024 173.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 m -118.26 160.62 21.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.172 -0.922 . . . . 74.049999999999997 110.454 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -117.91 144.35 45.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.042 -0.526 . . . . 74.329999999999998 109.743 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -82.61 126.66 32.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.963 0.411 . . . . 75.150000000000006 110.221 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -71.47 118.88 14.84 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.419 -0.586 . . . . 74.310000000000002 109.419 178.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.79 -7.16 41.6 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.681 -0.771 . . . . 51.009999999999998 112.754 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -82.52 147.93 28.38 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.197 0.499 . . . . 74.310000000000002 110.274 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.437 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -93.1 127.38 38.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.967 -0.56 . . . . 73.329999999999998 109.769 176.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.433 ' CG2' ' HE1' ' A' ' 49' ' ' PHE . 2.4 m -146.17 164.03 9.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.88 0.371 . . . . 72.310000000000002 110.96 -177.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.58 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 7.9 m -103.87 135.62 45.06 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.667 -0.697 . . . . 72.239999999999995 110.138 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.723 ' CE2' HG21 ' A' ' 63' ' ' VAL . 27.8 m-85 -135.65 142.38 45.16 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.43 -0.581 . . . . 74.530000000000001 109.43 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -87.04 103.86 15.77 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.901 -0.777 . . . . 75.349999999999994 108.901 173.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.67 138.76 18.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.769 -0.65 . . . . 72.129999999999995 111.727 -170.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.757 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 30.6 mt-10 -120.72 150.79 40.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.432 -0.803 . . . . 75.450000000000003 109.18 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -92.25 109.72 21.1 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.976 -0.75 . . . . 75.439999999999998 108.976 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.55 -171.87 45.26 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.639 -0.791 . . . . 44.32 112.722 -174.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -78.3 -22.46 48.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.025 0.44 . . . . 73.239999999999995 110.906 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 56' ' ' ARG . 11.3 mmt180 -108.31 -33.42 7.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 74.209999999999994 111.121 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.62 -170.85 43.93 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 111.258 -0.737 . . . . 75.409999999999997 111.258 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -65.86 119.51 6.54 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.799 2.333 . . . . 71.25 112.037 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.757 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 10.6 pt20 -106.63 136.23 46.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.972 0.415 . . . . 73.540000000000006 110.41 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.499 ' HB3' ' CD2' ' A' ' 49' ' ' PHE . . . -98.84 123.54 43.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 65.200000000000003 111.297 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.428 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . . . -126.83 163.96 22.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.013 -0.54 . . . . 72.239999999999995 109.789 176.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 52.71 88.96 0.03 OUTLIER 'General case' 0 C--O 1.239 0.52 0 O-C-N 123.619 0.574 . . . . 73.519999999999996 111.428 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.723 HG21 ' CE2' ' A' ' 49' ' ' PHE . 47.2 t -79.67 123.52 36.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.066 -0.516 . . . . 72.299999999999997 110.771 176.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.58 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 58.5 tt0 -122.89 125.87 46.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.585 -0.524 . . . . 75.129999999999995 109.585 175.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.417 ' HD2' HG13 ' A' ' 47' ' ' VAL . 27.7 tptp -74.05 126.05 29.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.864 0.364 . . . . 65.030000000000001 111.712 -175.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.253 1.273 0 CA-C-O 118.29 -0.862 . . . . 71.540000000000006 109.423 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.617 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 69.0 mm-40 . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 120.776 0.322 . . . . 75.319999999999993 110.491 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 35.8 tt0 -115.59 127.62 55.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.32 -0.4 . . . . 72.200000000000003 110.37 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . -158.03 172.55 35.18 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.804 -0.713 . . . . 74.310000000000002 112.106 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.6 m -90.98 138.39 31.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.042 0.448 . . . . 71.519999999999996 110.936 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.71 123.41 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.828 -0.624 . . . . 71.109999999999999 110.338 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 13.8 tppt? -74.91 -57.08 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 72.319999999999993 110.065 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -174.95 142.35 0.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.372 -0.603 . . . . 75.230000000000004 109.372 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -102.37 97.1 7.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.895 0.379 . . . . 73.349999999999994 110.571 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -76.15 79.61 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.672 0.749 . . . . 72.120000000000005 111.197 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.02 -20.64 66.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.199 -0.909 . . . . 64.209999999999994 110.951 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -54.62 -43.85 72.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.165 -0.471 . . . . 74.540000000000006 110.324 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.91 -21.92 21.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 74.109999999999999 110.147 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.48 35.68 7.83 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.721 -0.672 . . . . 71.329999999999998 111.506 -177.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -144.18 -169.68 3.18 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.832 -0.433 . . . . 75.120000000000005 109.832 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.6 160.55 30.0 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.845 -0.693 . . . . 74.150000000000006 111.761 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.42 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 69.8 m-85 -111.37 133.91 53.34 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.749 -0.463 . . . . 71.049999999999997 109.749 178.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.2 mt -131.11 150.57 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.756 -0.656 . . . . 73.430000000000007 109.661 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.664 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 2.6 tt0 -98.99 144.91 27.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.943 0.401 . . . . 70.409999999999997 110.698 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 50.5 mtp180 -131.8 168.54 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.907 -0.588 . . . . 72.340000000000003 109.84 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.99 -27.56 68.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.714 -0.675 . . . . 74.230000000000004 110.372 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -96.72 13.23 29.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.738 -0.665 . . . . 54.43 111.236 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.25 148.07 5.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.493 -0.86 . . . . 74.5 112.506 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.664 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 17.0 p-10 -103.93 57.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.421 0.629 . . . . 74.310000000000002 111.141 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -131.93 32.35 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.708 -0.678 . . . . 72.129999999999995 110.514 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.1 t -87.03 124.83 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.252 -0.431 . . . . 74.430000000000007 110.911 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.21 113.79 25.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.107 -0.497 . . . . 71.420000000000002 110.666 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.7 p -91.73 143.78 10.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 C-N-CA 120.79 -0.364 . . . . 74.5 110.038 177.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.478 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 7.9 p80 -124.82 164.45 20.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.811 -0.631 . . . . 73.0 109.844 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.51 ' HA ' HD13 ' A' ' 33' ' ' ILE . 61.1 m-85 -59.86 -24.37 64.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.584 0.957 . . . . 75.140000000000001 113.584 -169.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.478 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.5 m -59.73 -32.72 70.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.943 0.401 . . . . 74.109999999999999 110.808 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.506 ' HB1' HG22 ' A' ' 63' ' ' VAL . . . -80.14 -19.85 46.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.519999999999996 110.852 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' A' ' 30' ' ' PHE . 1.7 mp -69.52 140.22 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.487 -0.779 . . . . 70.219999999999999 110.861 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.41 -164.41 1.94 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.961 -0.563 . . . . 72.219999999999999 110.155 177.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 36' ' ' ASP . . . -93.04 -127.46 4.48 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.663 -0.78 . . . . 74.439999999999998 114.278 -170.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 68.2 m-20 83.15 -72.5 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.469 1.108 . . . . 72.109999999999999 110.954 -178.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.61 -62.62 0.36 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.703 -0.76 . . . . 75.540000000000006 111.928 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -138.77 156.56 47.26 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.532 -0.544 . . . . 75.239999999999995 109.532 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' H ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -86.19 -8.78 57.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.613 0.721 . . . . 75.109999999999999 109.436 175.012 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 p -85.98 160.96 19.21 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.412 -0.813 . . . . 62.310000000000002 108.858 170.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.0 tp -105.99 128.34 53.76 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.584 -0.524 . . . . 71.329999999999998 109.584 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 15.6 m-20 -84.58 121.55 27.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.397 0.618 . . . . 70.040000000000006 111.897 -172.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.45 122.51 18.11 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.182 -0.917 . . . . 75.219999999999999 109.597 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.23 -9.41 45.98 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.327 -0.94 . . . . 74.099999999999994 113.394 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 25.7 pt20 -88.86 155.95 19.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.728 0.764 . . . . 74.209999999999994 110.183 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.48 120.03 40.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.646 -0.501 . . . . 55.350000000000001 109.646 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.0 m -128.65 148.22 33.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.251 0.548 . . . . 75.430000000000007 111.045 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.565 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 5.0 m -92.83 154.88 17.99 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.901 -1.148 . . . . 71.209999999999994 107.901 172.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -163.91 174.64 11.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 118.053 0.388 . . . . 75.430000000000007 110.871 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.508 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 24.3 t70 -95.38 137.24 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.572 -0.74 . . . . 73.519999999999996 109.569 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.617 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 7.2 p -95.9 126.25 48.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.204 0.526 . . . . 74.150000000000006 111.487 -175.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.976 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 35.5 mt-10 -108.05 117.72 34.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.909 -0.587 . . . . 53.109999999999999 109.609 174.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.38 108.29 8.07 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.281 -1.007 . . . . 75.299999999999997 108.281 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.36 -160.36 36.39 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.9 -0.666 . . . . 74.129999999999995 113.042 -171.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -68.67 -33.01 73.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.626 -0.287 . . . . 75.140000000000001 111.545 -175.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -148.58 16.86 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.774 -0.37 . . . . 73.319999999999993 111.911 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.71 177.26 46.39 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.203 -0.999 . . . . 44.200000000000003 112.353 -178.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -87.65 127.76 2.37 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.924 2.416 . . . . 73.25 112.872 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.976 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 12.9 pt20 -119.18 159.18 24.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.008 -0.542 . . . . 75.329999999999998 110.043 176.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.93 126.18 51.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.131 0.419 . . . . 71.019999999999996 112.131 -173.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.508 ' HB3' ' HB3' ' A' ' 50' ' ' ASP . . . -100.18 -178.96 3.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.43 -0.805 . . . . 71.030000000000001 109.355 173.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -23.96 126.57 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.282 1.216 . . . . 74.129999999999995 114.282 -168.349 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.506 HG22 ' HB1' ' A' ' 32' ' ' ALA . 95.4 t -95.8 138.65 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.716 -1.129 . . . . 72.230000000000004 111.734 -176.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.565 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 35.1 tt0 -110.38 139.32 45.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.422 -0.808 . . . . 71.439999999999998 109.06 173.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 147.18 26.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.008 0.432 . . . . 72.310000000000002 111.738 -172.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.383 -0.818 . . . . 55.549999999999997 109.767 177.418 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.603 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 1.9 pm0 . . . . . 0 N--CA 1.451 -0.378 0 CA-C-O 121.477 0.656 . . . . 73.439999999999998 110.486 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.562 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 33.1 tt0 -100.94 131.81 46.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.066 -0.97 . . . . 74.299999999999997 110.126 -177.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.5 168.29 31.54 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.518 -0.849 . . . . 72.219999999999999 112.227 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 49.4 m -90.41 128.73 36.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.726 0.298 . . . . 74.510000000000005 110.461 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.1 t -73.07 104.88 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.475 -0.565 . . . . 73.450000000000003 109.475 176.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -70.7 -38.27 73.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.93 0.395 . . . . 74.510000000000005 110.205 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.496 ' CZ3' ' HB3' ' A' ' 10' ' ' ASN . 9.3 t90 -156.81 151.4 25.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.13 -0.486 . . . . 64.230000000000004 109.871 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -130.63 98.06 4.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 74.329999999999998 110.332 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.617 HD21 ' HG3' ' A' ' 13' ' ' LYS . 4.6 p-10 -82.81 76.66 9.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.682 0.753 . . . . 73.219999999999999 110.358 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.03 -27.41 68.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.042 -0.981 . . . . 73.310000000000002 111.478 -176.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.99 -36.66 82.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.964 0.411 . . . . 74.120000000000005 110.147 176.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.617 ' HG3' HD21 ' A' ' 10' ' ' ASN . 10.1 mmpt? -82.92 -24.24 33.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.412 -0.588 . . . . 74.219999999999999 109.412 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.24 26.39 16.16 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.265 -0.88 . . . . 63.439999999999998 111.546 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -139.31 -176.32 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.063 0.459 . . . . 74.040000000000006 110.941 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -154.21 163.0 30.87 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.869 -0.892 . . . . 64.409999999999997 110.869 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -122.01 132.86 54.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.124 0.462 . . . . 72.120000000000005 110.384 177.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.484 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 46.5 mt -121.88 144.77 30.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.806 -0.634 . . . . 65.049999999999997 109.991 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.831 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 15.8 pt-20 -100.27 121.41 41.43 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.033 -0.53 . . . . 73.109999999999999 109.636 177.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -124.49 -175.16 3.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.892 -0.595 . . . . 74.340000000000003 111.348 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -67.88 -27.12 66.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.888 -1.051 . . . . 63.439999999999998 111.589 -174.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -89.11 -21.62 23.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.072 0.463 . . . . 74.430000000000007 110.766 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.98 168.6 21.26 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.918 -0.658 . . . . 70.109999999999999 111.816 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.831 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.5 p-10 -105.62 56.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.716 0.77 . . . . 75.319999999999993 110.734 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -135.48 32.46 3.07 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.383 -0.826 . . . . 62.299999999999997 110.368 -178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.484 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 46.5 t -84.67 112.0 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 110.098 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -76.18 117.19 17.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.763 -0.653 . . . . 74.409999999999997 112.012 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -89.99 135.55 26.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.99 -0.55 . . . . 72.010000000000005 109.896 175.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.416 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 67.7 m80 -102.92 131.88 49.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.877 -0.416 . . . . 71.109999999999999 109.877 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.44 ' HA ' HD13 ' A' ' 33' ' ' ILE . 19.6 p90 -59.38 -27.61 66.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.185 0.517 . . . . 73.409999999999997 110.413 177.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 t -74.08 -5.26 40.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.794 -0.639 . . . . 62.310000000000002 110.927 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.422 ' HB2' ' N ' ' A' ' 62' ' ' ASN . . . -97.68 -18.93 18.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.545 -0.298 . . . . 74.140000000000001 111.276 -178.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.474 HG13 HG22 ' A' ' 63' ' ' VAL . 2.2 mp -76.65 123.83 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 74.049999999999997 110.698 -177.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -75.41 119.16 19.12 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.968 -0.753 . . . . 73.209999999999994 108.968 171.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.54 -135.77 4.25 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.921 -0.657 . . . . 72.120000000000005 112.932 -172.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 70.65 -75.79 0.07 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.455 0.702 . . . . 70.319999999999993 110.402 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.81 -52.98 6.65 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.119 -0.563 . . . . 75.319999999999993 111.969 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -130.32 118.95 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.833 0.349 . . . . 71.329999999999998 110.668 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -96.55 10.61 37.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.062 -0.517 . . . . 75.409999999999997 110.949 177.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.0 t -153.57 154.86 35.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.047 -0.524 . . . . 65.230000000000004 110.016 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -107.68 134.17 51.04 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.613 -0.514 . . . . 62.350000000000001 109.613 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.438 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 6.6 m-20 -83.2 122.89 29.0 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.227 -0.442 . . . . 71.310000000000002 110.184 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.8 136.71 58.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.435 0.636 . . . . 75.530000000000001 110.533 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.31 -21.41 33.18 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.399 -0.819 . . . . 55.310000000000002 112.556 -177.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 22.4 pt20 -88.55 154.94 19.93 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 117.374 0.587 . . . . 73.409999999999997 110.798 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -96.04 132.87 40.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.892 -0.594 . . . . 61.100000000000001 110.158 177.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.0 m -137.68 159.82 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.463 -0.335 . . . . 73.420000000000002 110.497 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.575 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 3.8 m -105.41 146.08 29.95 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.432 -0.349 . . . . 75.129999999999995 110.381 -177.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CE2' HG21 ' A' ' 63' ' ' VAL . 29.3 m-85 -136.98 171.51 14.39 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 121.127 0.489 . . . . 74.140000000000001 111.587 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -102.82 133.44 47.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.699 -1.137 . . . . 75.439999999999998 108.706 166.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.603 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 8.0 p -90.59 142.58 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.211 0.529 . . . . 75.129999999999995 112.337 -172.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HG3' ' HG3' ' A' ' 59' ' ' GLN . 5.4 pt-20 -145.32 151.47 38.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.775 -0.648 . . . . 74.019999999999996 110.169 173.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -95.2 124.86 39.46 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.631 -0.507 . . . . 74.239999999999995 109.631 173.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.07 -167.76 28.09 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.453 -0.88 . . . . 64.450000000000003 112.623 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -82.05 3.75 25.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.142 0.496 . . . . 73.450000000000003 110.802 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.551 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 4.1 mmp_? -122.44 -56.41 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.926 -0.579 . . . . 65.310000000000002 110.653 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.63 -157.24 13.12 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.817 -0.706 . . . . 72.420000000000002 111.753 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -67.39 115.38 3.66 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.657 2.238 . . . . 73.129999999999995 111.539 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.45 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 12.5 pt20 -128.42 159.45 35.35 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.28 -0.418 . . . . 75.129999999999995 110.06 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.84 143.02 47.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.187 0.518 . . . . 70.239999999999995 111.95 -173.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.62 166.8 23.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.395 -0.82 . . . . 74.329999999999998 109.468 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.422 ' N ' ' HB2' ' A' ' 32' ' ' ALA . 19.5 m-80 59.04 99.68 0.02 OUTLIER 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.106 0.479 . . . . 72.349999999999994 110.741 -176.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.696 HG21 ' CE2' ' A' ' 49' ' ' PHE . 47.9 t -89.97 132.8 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.669 -0.696 . . . . 72.140000000000001 111.451 -178.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.575 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 53.7 tt0 -121.36 124.55 44.83 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.598 -0.89 . . . . 73.219999999999999 108.598 171.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -75.8 127.83 33.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.18 0.514 . . . . 74.129999999999995 111.884 -173.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.592 -0.731 . . . . 75.120000000000005 109.107 172.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 111.486 0.18 . . . . 74.25 111.486 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.635 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 51.9 mm-40 -86.59 72.56 10.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.828 0.823 . . . . 62.210000000000001 110.184 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -97.57 142.65 29.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.836 -1.074 . . . . 74.530000000000001 109.187 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.15 176.41 45.19 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.211 -0.995 . . . . 62.439999999999998 112.501 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.6 m -99.57 134.83 41.88 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.147 -0.316 . . . . 73.430000000000007 110.147 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.16 114.86 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.52 -0.548 . . . . 74.239999999999995 109.52 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -70.37 -59.22 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 71.129999999999995 109.994 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.5 t90 -172.59 158.35 4.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 75.540000000000006 109.655 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.582 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 11.4 p90 -123.82 111.89 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.322 0.582 . . . . 73.219999999999999 110.949 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -79.21 87.72 4.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.935 0.874 . . . . 73.450000000000003 109.829 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.43 -14.32 49.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.014 -0.993 . . . . 73.430000000000007 111.68 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -57.34 -45.38 84.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.877 0.37 . . . . 75.239999999999995 110.058 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -93.98 -39.56 10.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.04 0.448 . . . . 74.310000000000002 109.825 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.39 29.3 4.54 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.639 -0.709 . . . . 45.520000000000003 111.49 -176.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -121.36 143.89 48.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.794 0.33 . . . . 74.120000000000005 110.423 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.582 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -113.23 146.57 18.47 Favored Glycine 0 N--CA 1.44 -1.074 0 C-N-CA 120.396 -0.907 . . . . 54.329999999999998 111.253 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.38 133.35 53.75 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.01 0.433 . . . . 73.519999999999996 109.906 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.23 144.86 28.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.379 -0.828 . . . . 60.340000000000003 109.134 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.49 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 29.0 tt0 -100.39 127.09 46.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.231 0.539 . . . . 72.129999999999995 111.264 -172.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.607 ' NH2' ' HB3' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -125.04 161.31 27.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.364 -0.835 . . . . 75.209999999999994 109.259 176.578 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.53 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 26.1 tt0 -62.42 -45.33 93.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.089 0.471 . . . . 71.519999999999996 109.826 174.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.07 -21.79 60.71 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.72 -0.673 . . . . 61.219999999999999 111.804 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.63 119.91 0.75 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.326 -0.94 . . . . 62.310000000000002 112.392 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 15.5 p-10 -98.88 55.47 1.03 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.558 0.695 . . . . 71.439999999999998 110.537 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -164.17 44.29 0.1 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.37 -0.832 . . . . 74.340000000000003 110.299 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.71 118.77 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.747 -0.661 . . . . 75.409999999999997 110.012 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -78.02 103.58 8.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.631 -0.713 . . . . 73.150000000000006 111.114 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.4 p -97.66 134.78 34.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.537 -0.542 . . . . 73.510000000000005 109.537 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -136.85 151.66 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.343 -0.39 . . . . 72.219999999999999 110.433 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -74.38 9.92 1.51 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.991 0.737 . . . . 74.239999999999995 112.991 -167.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 m -82.91 -7.84 59.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.116 0.484 . . . . 54.350000000000001 110.167 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -129.33 19.57 5.81 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.868 -0.606 . . . . 74.349999999999994 110.903 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 tp -80.57 151.59 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 72.450000000000003 109.998 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -84.22 -162.57 0.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.908 0.385 . . . . 62.109999999999999 111.098 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.76 -134.79 4.6 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.157 -0.545 . . . . 74.140000000000001 111.94 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 62.22 16.64 8.56 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.942 0.497 . . . . 74.140000000000001 111.656 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.22 -18.37 57.5 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.656 -0.783 . . . . 54.009999999999998 112.104 -178.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -81.38 78.9 8.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.333 0.587 . . . . 73.540000000000006 110.428 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 5.76 11.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.287 -0.869 . . . . 74.530000000000001 109.431 176.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.7 m -107.4 124.22 49.52 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.812 -1.085 . . . . 63.439999999999998 110.429 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.555 ' HA ' ' NE2' ' A' ' 45' ' ' GLN . 94.4 mt -107.32 127.18 53.33 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.936 -0.764 . . . . 74.349999999999994 108.936 173.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.484 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 38.3 t70 -124.4 144.16 50.2 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.084 0.468 . . . . 72.239999999999995 110.852 -174.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.34 124.21 20.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.326 -0.852 . . . . 71.310000000000002 111.183 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.35 -3.53 56.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.598 -0.81 . . . . 64.109999999999999 113.511 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.555 ' NE2' ' HA ' ' A' ' 41' ' ' LEU . 17.6 pt20 -90.79 155.75 18.56 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 117.773 0.787 . . . . 72.450000000000003 110.597 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.61 137.51 39.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.168 -0.469 . . . . 75.340000000000003 111.028 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.71 164.2 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 74.319999999999993 110.988 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.7 m -128.79 134.29 48.33 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.916 -0.772 . . . . 74.349999999999994 108.916 176.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.635 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 22.2 p90 -161.31 -175.63 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.496 -0.482 . . . . 74.109999999999999 111.42 -173.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -111.33 153.23 26.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.41 -0.814 . . . . 64.420000000000002 109.418 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.4 t -127.79 123.83 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.019 0.438 . . . . 72.329999999999998 111.025 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.89 113.56 25.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.695 -0.684 . . . . 61.219999999999999 109.503 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.497 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 42.6 mt-10 -80.13 126.02 30.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.08 -0.509 . . . . 74.349999999999994 110.314 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -88.79 -147.36 14.59 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.775 -0.726 . . . . 75.239999999999995 111.389 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -74.74 88.17 2.24 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.026 -0.731 . . . . 73.439999999999998 109.026 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 52.57 81.87 0.08 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.391 -0.822 . . . . 65.439999999999998 110.747 -171.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.68 101.06 0.16 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.804 -0.712 . . . . 60.149999999999999 112.171 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.497 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 3.9 Cg_exo -80.0 111.08 2.65 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.047 2.498 . . . . 75.239999999999995 111.832 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -112.04 150.69 30.29 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.52 -0.472 . . . . 75.340000000000003 110.34 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.7 134.93 33.55 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.609 -0.723 . . . . 75.109999999999999 111.467 -177.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -135.2 145.6 47.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.289 -0.869 . . . . 73.510000000000005 108.941 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.93 83.91 0.12 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.525 -0.546 . . . . 72.340000000000003 109.525 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.519 ' HA ' ' HB3' ' A' ' 49' ' ' PHE . 47.7 t -100.13 124.8 53.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 120.468 -0.493 . . . . 62.509999999999998 111.076 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -122.08 150.01 42.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.749 -0.659 . . . . 74.420000000000002 109.601 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -84.82 136.52 33.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.762 0.315 . . . . 55.020000000000003 110.703 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.279 -0.867 . . . . 72.439999999999998 109.791 174.626 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 108.926 -0.768 . . . . 63.240000000000002 108.926 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.803 ' HG2' ' HB ' ' A' ' 51' ' ' VAL . 1.5 mp0 -102.26 88.85 3.4 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.306 -0.406 . . . . 75.430000000000007 111.183 -174.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -111.55 129.14 56.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.902 -0.407 . . . . 75.239999999999995 109.902 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.74 176.94 30.71 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.578 -0.82 . . . . 71.140000000000001 112.247 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.5 m -95.71 131.1 42.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.801 0.334 . . . . 75.140000000000001 110.474 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.2 t -68.88 110.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.084 -0.507 . . . . 75.299999999999997 110.489 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' TRP . 16.9 tppt? -63.62 -55.53 22.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.895 -0.593 . . . . 75.409999999999997 109.509 178.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.621 ' HD1' ' HB3' ' A' ' 43' ' ' GLU . 0.6 OUTLIER 176.99 168.0 0.54 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.263 -0.88 . . . . 72.120000000000005 109.087 173.816 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.617 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 4.7 p90 -123.41 96.42 4.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.504 0.669 . . . . 72.140000000000001 109.631 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.702 HD21 ' HB2' ' A' ' 13' ' ' LYS . 3.2 p-10 -68.57 84.06 0.28 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.521 0.677 . . . . 73.439999999999998 111.396 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.99 -22.56 65.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.375 -0.829 . . . . 72.099999999999994 111.665 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -58.05 -39.58 78.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.413 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.702 ' HB2' HD21 ' A' ' 10' ' ' ASN . 29.6 mtpp -101.42 -10.64 20.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.223 0.535 . . . . 73.25 110.041 176.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.25 43.54 20.43 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.539 -0.755 . . . . 71.129999999999995 112.58 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.637 ' HB2' HD22 ' A' ' 10' ' ' ASN . 55.9 m-85 -140.27 -178.73 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.217 -0.29 . . . . 73.049999999999997 110.217 -178.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.617 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -146.98 162.15 28.53 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.62 -0.8 . . . . 73.5 112.194 175.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -136.58 137.86 40.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.766 0.317 . . . . 74.450000000000003 110.745 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.8 mt -127.17 147.73 32.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.863 -0.608 . . . . 72.140000000000001 109.655 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -119.77 132.3 55.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 74.329999999999998 110.59 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.568 HH11 ' HG3' ' A' ' 2' ' ' GLU . 71.0 mtp180 -119.77 160.44 22.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.233 0.539 . . . . 74.400000000000006 111.113 177.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.18 -45.43 84.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.059 -0.973 . . . . 73.310000000000002 109.781 171.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -96.16 19.01 12.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.608 -0.724 . . . . 60.409999999999997 111.039 -176.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . 179.33 106.78 0.21 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 119.775 -1.203 . . . . 53.310000000000002 112.97 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -91.13 155.5 18.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.085 -0.339 . . . . 73.519999999999996 110.085 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 t70 63.45 72.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 124.034 0.834 . . . . 73.310000000000002 111.508 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -107.29 118.53 55.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.721 -0.672 . . . . 72.340000000000003 109.622 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 59' ' ' GLN . 28.6 t80 -84.23 140.86 31.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.201 -0.454 . . . . 73.319999999999993 110.286 -175.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.0 t -120.26 132.54 69.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.055 0.455 . . . . 72.519999999999996 111.422 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -111.16 145.72 38.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 74.109999999999999 109.904 173.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.532 ' O ' HG22 ' A' ' 33' ' ' ILE . 82.4 m-85 -71.53 -10.11 59.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.381 0.61 . . . . 74.319999999999993 110.072 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -75.73 -4.65 41.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.487 -0.779 . . . . 55.130000000000003 110.919 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . . . -121.67 -3.05 9.29 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.78 0.324 . . . . 62.310000000000002 111.871 -178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 30' ' ' PHE . 11.0 tp -86.62 148.92 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.674 -0.491 . . . . 71.040000000000006 109.674 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -95.07 156.69 16.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.427 -0.351 . . . . 73.430000000000007 110.268 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 39' ' ' LYS . . . -108.56 -141.3 9.5 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.72 -0.752 . . . . 72.450000000000003 111.267 176.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 4.6 m-20 73.46 -47.41 0.66 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.544 0.738 . . . . 74.409999999999997 111.706 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.37 -82.99 0.18 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.035 -0.602 . . . . 74.109999999999999 112.1 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -93.52 92.04 7.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.69 0.281 . . . . 74.140000000000001 110.892 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.473 ' HB3' ' HA2' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -103.44 -7.67 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.038 -0.528 . . . . 74.409999999999997 110.551 177.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -115.11 136.37 53.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.805 -0.634 . . . . 74.420000000000002 109.709 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.444 HD23 HG13 ' A' ' 47' ' ' VAL . 92.6 mt -106.88 129.48 54.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.45 -0.341 . . . . 63.409999999999997 110.505 -177.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.564 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 16.0 m-20 -85.36 137.44 32.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.269 0.557 . . . . 71.450000000000003 110.986 -177.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.621 ' HB3' ' HD1' ' A' ' 8' ' ' TRP . 6.5 pt-20 -60.67 126.99 29.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.367 -0.833 . . . . 70.420000000000002 111.442 -179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.51 -10.48 66.94 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.833 -0.698 . . . . 54.5 113.333 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.564 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 14.3 pt20 -86.75 157.37 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.508 0.654 . . . . 71.230000000000004 110.266 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' ' 66' ' ' ALA . . . -96.21 141.87 29.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.494 -0.321 . . . . 73.150000000000006 110.504 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.444 HG13 HD23 ' A' ' 41' ' ' LEU . 23.6 m -134.55 155.96 39.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.311 -0.404 . . . . 73.109999999999999 110.247 176.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 m -107.78 134.72 50.34 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.549 -0.538 . . . . 74.019999999999996 109.549 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.493 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 42.9 p90 -150.47 177.78 9.68 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.871 0.367 . . . . 75.219999999999999 111.058 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -106.02 140.51 38.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.54 -0.754 . . . . 75.420000000000002 110.005 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.803 ' HB ' ' HG2' ' A' ' 2' ' ' GLU . 10.6 p -81.69 133.1 29.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.176 0.513 . . . . 65.430000000000007 111.549 -176.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -132.89 138.86 47.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.872 -0.604 . . . . 75.219999999999999 109.484 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -85.35 125.29 32.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.847 0.356 . . . . 74.209999999999994 110.112 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.82 -148.41 19.15 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.789 -0.641 . . . . 63.32 112.765 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -64.74 -67.75 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.935 0.398 . . . . 73.030000000000001 111.753 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -121.72 13.62 10.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.311 -0.404 . . . . 74.5 111.025 -177.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.67 169.93 42.73 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.468 -0.873 . . . . 71.109999999999999 112.307 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.95 132.7 13.1 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.745 2.296 . . . . 75.430000000000007 112.134 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 27' ' ' PHE . 13.9 pt20 -119.02 162.31 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.107 -0.497 . . . . 71.5 110.866 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.07 120.48 31.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.684 -0.689 . . . . 61.219999999999999 111.101 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.496 ' HA ' ' HB2' ' A' ' 32' ' ' ALA . . . -117.79 138.28 52.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.666 -0.494 . . . . 72.140000000000001 109.666 175.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 59.86 88.57 0.07 Allowed 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.875 -0.417 . . . . 74.519999999999996 109.875 -174.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.0 t -100.91 111.85 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 64.439999999999998 111.224 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -97.41 142.91 28.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.466 -0.788 . . . . 74.200000000000003 109.954 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -75.63 133.83 40.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.157 0.503 . . . . 73.310000000000002 111.236 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.776 -1.107 . . . . 52.140000000000001 108.811 174.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 108.902 -0.777 . . . . 73.329999999999998 108.902 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.477 ' HG3' ' NE ' ' A' ' 20' ' ' ARG . 3.4 mm-40 -111.47 153.59 25.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.3 -0.409 . . . . 74.329999999999998 111.025 -168.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.37 116.77 32.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.003 -1.11 . . . . 71.099999999999994 108.003 170.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.41 177.38 23.86 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.318 -0.944 . . . . 63.329999999999998 112.492 -175.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 35.9 m -110.99 137.41 48.65 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.672 0.272 . . . . 75.209999999999994 110.395 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.41 106.57 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.488 -0.56 . . . . 75.019999999999996 109.488 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HG3' ' CE3' ' A' ' 8' ' ' TRP . 4.9 tppp? -64.38 -50.63 66.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.921 -0.581 . . . . 75.430000000000007 110.349 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.415 ' CE3' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -158.79 173.94 15.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 71.510000000000005 110.782 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.632 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 5.2 p90 -142.31 93.67 2.56 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.923 -0.769 . . . . 75.519999999999996 108.923 174.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.701 HD22 ' HB2' ' A' ' 15' ' ' PHE . 5.8 p-10 -71.81 83.85 0.92 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.498 0.666 . . . . 75.340000000000003 111.438 -172.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.84 -16.79 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.638 -0.71 . . . . 74.310000000000002 110.282 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -54.35 -40.63 68.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.891 -1.049 . . . . 65.239999999999995 109.842 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -123.21 -1.42 8.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.432 -0.349 . . . . 74.230000000000004 111.414 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.54 57.33 3.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.068 -0.587 . . . . 54.43 113.197 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.701 ' HB2' HD22 ' A' ' 10' ' ' ASN . 92.2 m-85 -147.7 -178.74 6.42 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.526 -0.546 . . . . 74.109999999999999 109.526 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.632 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -138.04 167.12 25.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.45 -0.881 . . . . 62.140000000000001 112.384 174.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.495 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 59.7 m-85 -134.96 135.24 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.66 0.23 . . . . 75.0 110.521 177.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.508 HG13 ' CG2' ' A' ' 28' ' ' VAL . 72.0 mt -120.2 146.99 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.792 -0.448 . . . . 63.020000000000003 109.792 174.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 11.5 pt-20 -101.8 139.15 37.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.026 0.441 . . . . 65.129999999999995 111.006 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.477 ' NE ' ' HG3' ' A' ' 2' ' ' GLU . 60.7 mtp180 -126.36 160.3 30.81 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.437 -0.579 . . . . 65.230000000000004 109.437 174.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.33 -20.65 64.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.941 0.4 . . . . 74.239999999999995 110.776 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -103.79 19.59 19.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 71.010000000000005 110.157 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.86 120.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.991 -0.623 . . . . 72.430000000000007 111.81 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.559 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 10.9 p-10 -99.41 56.63 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.603 0.716 . . . . 71.430000000000007 111.245 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -149.93 80.52 1.38 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.534 -0.757 . . . . 72.530000000000001 109.911 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 60.6 t -118.95 123.27 71.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.642 -0.708 . . . . 74.310000000000002 110.226 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -76.09 116.3 16.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.09 0.471 . . . . 75.430000000000007 111.42 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.512 ' HB ' ' HA3' ' A' ' 16' ' ' GLY . 47.9 t -86.11 128.17 39.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.019 -0.537 . . . . 74.239999999999995 110.069 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -102.77 140.0 37.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.638 -0.71 . . . . 73.099999999999994 109.755 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -74.1 -16.57 61.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.59 -0.277 . . . . 74.519999999999996 111.644 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.2 t -76.2 -9.21 58.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.414 0.626 . . . . 74.519999999999996 109.79 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.29 20.18 16.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.67 -0.696 . . . . 73.420000000000002 110.279 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 tp -59.21 152.75 4.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.576 -0.738 . . . . 73.329999999999998 111.062 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 6.0 pt20 -59.14 167.39 1.74 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.314 0.578 . . . . 74.510000000000005 111.684 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.45 174.37 8.0 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.458 -0.792 . . . . 72.120000000000005 112.614 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.0 147.88 6.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.453 0.645 . . . . 72.129999999999995 112.26 -175.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.86 -51.05 0.87 Allowed Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.233 -0.894 . . . . 74.049999999999997 111.13 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -147.68 113.89 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.324 -0.251 . . . . 74.150000000000006 110.324 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 10.6 37.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.497 0.665 . . . . 74.5 109.922 176.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m -121.46 148.96 43.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.232 -0.895 . . . . 72.299999999999997 109.586 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.9 mt -107.54 173.81 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.74 0.305 . . . . 71.019999999999996 110.739 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.45 ' N ' HE21 ' A' ' 45' ' ' GLN . 12.9 m-20 -146.77 136.57 23.19 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.11 -0.496 . . . . 62.530000000000001 110.15 -173.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.05 112.17 2.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.905 -0.588 . . . . 74.439999999999998 110.413 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.09 6.51 36.77 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.399 -0.905 . . . . 73.099999999999994 113.904 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.45 HE21 ' N ' ' A' ' 42' ' ' ASP . 27.8 pt20 -101.91 136.42 41.77 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.557 1.178 . . . . 73.129999999999995 110.754 174.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -87.67 150.1 23.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.696 -0.684 . . . . 74.230000000000004 112.304 -172.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -147.48 174.84 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.391 -0.822 . . . . 74.310000000000002 110.257 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.2 m -124.12 133.21 53.65 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.896 -1.15 . . . . 64.409999999999997 107.896 170.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.42 ' CE1' HG21 ' A' ' 18' ' ' ILE . 28.2 p90 -149.24 165.29 32.33 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.437 -0.505 . . . . 74.340000000000003 111.477 -169.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -99.51 138.77 36.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.851 -0.613 . . . . 73.420000000000002 109.386 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.16 115.56 48.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.371 0.605 . . . . 74.140000000000001 110.401 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -114.83 122.83 47.56 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.986 -0.552 . . . . 72.319999999999993 110.142 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.611 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 45.0 mt-10 -65.88 113.59 4.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 73.510000000000005 110.228 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -99.5 -148.31 22.82 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.737 -0.744 . . . . 65.209999999999994 113.345 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.4 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.798 0.839 . . . . 74.439999999999998 112.445 -175.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -114.24 -12.13 12.51 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.0 -0.28 . . . . 75.310000000000002 111.333 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.39 159.21 27.97 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.405 -0.903 . . . . 74.140000000000001 112.002 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.611 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 41.9 Cg_endo -69.32 132.65 24.49 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.411 2.074 . . . . 75.109999999999999 111.253 176.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -113.37 145.3 41.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.057 0.456 . . . . 74.450000000000003 110.768 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.13 115.58 24.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.459 -0.792 . . . . 75.319999999999993 110.411 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.07 138.71 52.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.839 -0.619 . . . . 73.400000000000006 109.4 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 56.87 88.6 0.05 Allowed 'General case' 0 CA--C 1.513 -0.477 0 O-C-N 123.484 0.49 . . . . 73.510000000000005 109.915 -171.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 34' ' ' GLN . 58.8 t -104.34 106.83 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 C-N-CA 120.364 -0.534 . . . . 71.420000000000002 110.076 177.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -93.91 140.14 30.05 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.499 -0.556 . . . . 72.319999999999993 109.499 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -78.66 131.22 36.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.989 0.423 . . . . 74.450000000000003 111.414 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.795 -0.622 . . . . 74.540000000000006 109.673 176.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 121.187 0.517 . . . . 74.319999999999993 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.482 ' OE1' HG13 ' A' ' 51' ' ' VAL . 4.0 mp0 -97.2 133.6 41.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.884 -0.598 . . . . 73.010000000000005 109.437 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -100.37 124.74 46.24 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.547 -0.461 . . . . 72.329999999999998 109.813 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.57 168.61 23.8 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 121.009 -0.615 . . . . 61.530000000000001 111.758 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.2 m -95.89 129.09 43.24 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.86 0.362 . . . . 73.200000000000003 110.737 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.05 111.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.003 -0.544 . . . . 74.409999999999997 109.738 176.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.531 ' HE2' ' HB3' ' A' ' 19' ' ' GLU . 11.3 tppt? -67.18 -56.84 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.34 -0.615 . . . . 73.409999999999997 109.34 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.55 ' HA ' ' HB3' ' A' ' 43' ' ' GLU . 30.3 t90 -178.28 141.06 0.23 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.888 -1.051 . . . . 75.099999999999994 109.224 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.427 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 7.1 p90 -83.29 94.24 7.88 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.425 -0.583 . . . . 74.030000000000001 109.425 176.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.56 87.24 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.543 0.687 . . . . 72.109999999999999 111.774 -175.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.64 -18.97 65.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.293 -0.867 . . . . 74.209999999999994 110.206 176.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.72 -41.17 70.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.245 -0.889 . . . . 73.420000000000002 109.738 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -94.57 -30.69 14.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.369 -0.832 . . . . 75.019999999999996 109.708 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.62 25.56 8.08 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.79 -0.641 . . . . 63.509999999999998 112.48 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -143.59 -168.81 2.93 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.113 -0.329 . . . . 74.010000000000005 110.113 -174.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -112.9 155.37 16.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.748 -0.739 . . . . 62.210000000000001 111.707 177.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.761 ' CZ ' ' HA ' ' A' ' 25' ' ' ASP . 39.8 t80 -131.16 133.17 45.3 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.468 -0.567 . . . . 72.510000000000005 109.468 178.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.3 mt -135.85 148.44 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.598 -0.273 . . . . 74.030000000000001 110.459 -175.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 10.0 pt-20 -101.53 128.26 47.85 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.402 0.62 . . . . 74.120000000000005 110.743 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HD3' ' HB3' ' A' ' 2' ' ' GLU . 3.9 tpm_? -118.44 159.35 23.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.588 -0.733 . . . . 74.439999999999998 109.027 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.73 -33.23 74.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.116 0.484 . . . . 54.5 111.006 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -15.56 59.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.927 -0.579 . . . . 74.310000000000002 110.263 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.77 128.29 0.96 Allowed Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.176 -0.77 . . . . 61.329999999999998 111.176 -176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.554 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 6.8 p-10 -96.6 56.87 1.56 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.612 0.72 . . . . 73.450000000000003 110.936 -177.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.761 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 4.8 p-10 -150.21 39.33 0.75 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.039 -0.982 . . . . 75.549999999999997 110.114 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -86.84 119.41 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.594 -0.73 . . . . 74.340000000000003 110.56 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -88.56 122.86 32.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 75.109999999999999 110.815 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.3 t -92.05 127.74 44.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.159 -0.473 . . . . 75.230000000000004 110.538 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -90.19 147.46 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.251 -0.431 . . . . 72.109999999999999 110.243 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 33' ' ' ILE . 55.9 t80 -71.23 -19.45 62.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.23 0.538 . . . . 74.349999999999994 110.252 -175.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -80.32 -16.52 54.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.1 -0.5 . . . . 73.299999999999997 110.578 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.422 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -100.21 -16.96 17.58 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.012 0.375 . . . . 73.150000000000006 112.012 -174.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 30' ' ' PHE . 10.1 tp -73.51 145.27 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 110.01 -0.366 . . . . 73.230000000000004 110.01 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.593 ' OE1' ' HA ' ' A' ' 64' ' ' GLN . 8.8 pt20 -94.25 152.73 18.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.72 0.295 . . . . 73.049999999999997 110.538 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.64 89.02 0.84 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.408 -0.901 . . . . 72.010000000000005 111.243 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -83.22 -16.74 45.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.723 0.773 . . . . 73.099999999999994 110.109 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.02 -39.12 1.21 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 109.677 -1.369 . . . . 73.120000000000005 109.677 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -123.09 151.89 41.6 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.17 -1.048 . . . . 74.329999999999998 108.17 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.85 26.27 1.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.244 0.545 . . . . 74.319999999999993 111.663 -175.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.7 m -152.56 158.43 42.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.531 -0.544 . . . . 71.010000000000005 109.531 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD11 HG12 ' A' ' 47' ' ' VAL . 97.4 mt -107.71 173.74 6.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.716 0.293 . . . . 75.409999999999997 110.719 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.77 123.11 35.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 75.5 109.989 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.55 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -67.95 118.28 10.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.263 0.554 . . . . 63.32 110.246 178.114 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.12 -7.55 23.24 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.771 -0.65 . . . . 62.299999999999997 112.737 -176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -96.39 159.09 15.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.16 0.48 . . . . 75.140000000000001 110.294 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.55 136.04 38.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.591 0.234 . . . . 73.319999999999993 110.612 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.471 HG12 HD11 ' A' ' 41' ' ' LEU . 31.2 m -136.52 164.88 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.419 -0.355 . . . . 73.230000000000004 110.323 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.493 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 6.8 m -108.02 145.57 33.76 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.342 -0.614 . . . . 74.420000000000002 109.342 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.627 ' HE2' ' HB ' ' A' ' 51' ' ' VAL . 44.8 p90 -160.73 171.17 19.33 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.615 0.245 . . . . 73.239999999999995 110.771 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -108.26 109.53 20.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.199 -0.455 . . . . 75.239999999999995 109.845 170.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.627 ' HB ' ' HE2' ' A' ' 49' ' ' PHE . 7.3 p -84.57 113.13 22.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.543 0.687 . . . . 64.430000000000007 111.085 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -111.64 131.4 55.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 74.010000000000005 110.255 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 37.0 mt-10 -80.39 112.0 17.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.736 -0.468 . . . . 74.140000000000001 109.736 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.22 -148.48 21.73 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.608 -0.724 . . . . 73.329999999999998 113.478 -171.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -58.13 -37.16 74.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.431 -0.385 . . . . 73.219999999999999 111.63 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -122.51 -63.05 1.31 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.36 -0.382 . . . . 73.25 111.208 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.0 175.41 17.24 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.265 -0.969 . . . . 63.329999999999998 113.088 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.558 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 17.8 Cg_exo -66.99 128.58 18.96 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.462 2.775 . . . . 75.510000000000005 112.306 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -126.17 144.34 50.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.814 -0.63 . . . . 73.209999999999994 110.619 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.74 118.14 24.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.846 -0.616 . . . . 74.519999999999996 111.135 -176.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.422 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -120.79 147.97 44.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.795 -0.638 . . . . 64.439999999999998 109.478 175.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 10.9 m-80 59.52 89.26 0.06 Allowed 'General case' 0 C--O 1.238 0.478 0 O-C-N 123.41 0.444 . . . . 74.129999999999995 110.16 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.0 t -103.14 136.29 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 71.010000000000005 110.993 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.593 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 25.2 tt0 -127.02 130.31 49.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.72 -0.673 . . . . 74.140000000000001 109.85 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -70.9 138.16 49.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.308 . . . . 74.430000000000007 110.407 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.546 -0.74 . . . . 74.209999999999994 110.227 -179.716 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 tpp . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 109.709 -0.478 . . . . 74.450000000000003 109.709 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.709 ' HG3' HG22 ' A' ' 51' ' ' VAL . 2.4 mm-40 -115.3 176.94 4.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.236 -0.438 . . . . 74.120000000000005 110.394 -172.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -146.39 148.46 32.36 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.928 -0.768 . . . . 71.510000000000005 108.928 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.98 169.68 38.98 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.27 -0.967 . . . . 72.510000000000005 112.703 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 4.7 m -102.03 130.33 48.56 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.294 -0.261 . . . . 61.329999999999998 110.294 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.2 111.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.552 -0.536 . . . . 75.150000000000006 109.552 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -85.05 -41.67 15.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.296 -0.411 . . . . 71.319999999999993 111.116 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -149.99 149.21 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.977 -0.289 . . . . 74.519999999999996 110.349 -173.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -131.96 93.89 3.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.916 0.388 . . . . 74.329999999999998 110.564 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.945 HD22 ' HB2' ' A' ' 15' ' ' PHE . 1.7 p-10 -81.39 82.39 7.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.949 0.881 . . . . 71.099999999999994 110.468 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.14 -27.26 67.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 72.010000000000005 112.184 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -4.37 48.84 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.843 -0.343 . . . . 73.519999999999996 111.636 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -124.36 -5.78 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 72.329999999999998 110.651 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.82 49.59 13.36 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.992 -0.549 . . . . 62.520000000000003 113.905 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.945 ' HB2' HD22 ' A' ' 10' ' ' ASN . 66.1 m-85 -144.84 148.19 33.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.182 -0.303 . . . . 72.209999999999994 110.182 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -112.48 139.67 15.79 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.326 -0.94 . . . . 61.109999999999999 111.114 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 25' ' ' ASP . 71.3 t80 -112.13 133.14 54.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.005 0.431 . . . . 75.519999999999996 110.108 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.436 HG21 ' CE1' ' A' ' 49' ' ' PHE . 57.7 mt -126.44 144.36 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.922 -0.581 . . . . 75.329999999999998 110.788 -175.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.593 ' HG3' ' CB ' ' A' ' 24' ' ' ASP . 34.1 tt0 -111.47 130.52 55.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.702 -0.681 . . . . 75.409999999999997 110.336 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -118.61 166.78 12.31 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.088 -0.338 . . . . 74.219999999999999 110.088 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.67 -36.89 84.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.349 0.595 . . . . 75.230000000000004 110.588 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -102.71 20.48 17.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.782 -0.644 . . . . 73.010000000000005 110.741 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.35 104.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.356 -0.926 . . . . 72.239999999999995 112.618 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.593 ' CB ' ' HG3' ' A' ' 19' ' ' GLU . 11.6 p-10 -91.67 57.77 3.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.427 0.632 . . . . 65.340000000000003 110.804 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 37.9 t70 -161.93 78.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 71.019999999999996 109.717 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.429 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 46.7 t -130.19 139.62 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 71.409999999999997 109.908 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' A' ' 59' ' ' GLN . 98.1 m-85 -114.92 123.28 48.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.888 0.375 . . . . 75.200000000000003 110.954 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.619 HG11 HD11 ' A' ' 41' ' ' LEU . 11.6 p -97.09 137.37 24.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.918 0.39 . . . . 73.430000000000007 110.606 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -107.77 148.52 29.38 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.276 -0.875 . . . . 73.140000000000001 109.687 177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.471 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 98.3 m-85 -70.75 -11.33 60.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.945 0.402 . . . . 74.040000000000006 110.891 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 m -67.93 -14.07 62.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.041 -0.527 . . . . 64.450000000000003 111.384 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.37 23.2 3.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 74.030000000000001 111.17 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.66 HD13 ' HG ' ' A' ' 41' ' ' LEU . 10.2 tp -81.02 151.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.6 . . . . 74.140000000000001 111.769 -173.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.55 -176.46 4.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.754 -0.657 . . . . 73.340000000000003 110.972 176.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . -147.51 -142.48 3.69 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.733 -0.746 . . . . 73.049999999999997 112.517 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 69.03 89.4 0.1 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.594 0.712 . . . . 72.430000000000007 111.15 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.9 -77.66 2.04 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.326 -0.852 . . . . 75.319999999999993 111.586 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -106.22 101.74 11.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.197 0.522 . . . . 74.120000000000005 110.408 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -85.35 -3.39 58.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.542 -0.754 . . . . 73.430000000000007 110.08 179.608 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 p -103.23 163.64 12.12 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.565 -0.743 . . . . 71.319999999999993 109.662 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.66 ' HG ' HD13 ' A' ' 33' ' ' ILE . 55.8 mt -107.02 128.99 54.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.878 0.37 . . . . 74.450000000000003 110.355 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.411 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 37.3 t70 -99.45 126.84 45.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.754 -0.657 . . . . 72.140000000000001 109.762 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -57.84 123.14 14.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.883 -0.599 . . . . 63.030000000000001 110.955 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.88 -15.1 11.26 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.912 -0.661 . . . . 73.319999999999993 113.034 -176.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.411 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 23.9 pt20 -100.71 149.93 23.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 117.659 0.729 . . . . 73.329999999999998 110.699 177.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -94.33 144.95 25.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.296 -0.411 . . . . 72.129999999999995 110.787 177.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.7 m -140.55 159.57 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 71.510000000000005 110.934 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 m -99.77 144.94 28.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.945 -0.761 . . . . 72.540000000000006 108.945 176.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' A' ' 62' ' ' ASN . 48.0 p90 -169.99 153.58 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.754 0.312 . . . . 74.5 110.282 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -97.16 141.96 29.66 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.266 -0.574 . . . . 74.439999999999998 109.677 174.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.709 HG22 ' HG3' ' A' ' 2' ' ' GLU . 77.3 t -87.52 114.14 25.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.114 0.483 . . . . 64.349999999999994 111.001 -177.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -96.02 115.53 27.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.484 -0.78 . . . . 72.319999999999993 109.676 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.52 108.99 4.03 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.338 -0.616 . . . . 74.530000000000001 109.338 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.75 -148.12 18.45 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.953 -0.642 . . . . 72.329999999999998 112.169 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -78.57 -25.85 45.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.83 0.348 . . . . 74.439999999999998 111.097 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -144.17 -64.79 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 74.519999999999996 111.409 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.86 155.88 22.2 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.493 -0.861 . . . . 55.329999999999998 112.552 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.32 116.69 4.4 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 123.003 2.469 . . . . 75.030000000000001 110.932 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' A' ' 27' ' ' PHE . 14.0 pt20 -106.88 151.29 25.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.939 0.4 . . . . 73.310000000000002 111.086 -176.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.445 ' HB2' HG21 ' A' ' 28' ' ' VAL . . . -80.99 118.7 22.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.927 -0.579 . . . . 72.329999999999998 111.127 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.66 139.62 51.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.495 -0.775 . . . . 74.120000000000005 109.192 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 27.7 m-80 56.66 85.52 0.08 Allowed 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.015 0.436 . . . . 75.120000000000005 109.997 -173.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -98.95 126.65 52.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.65 -0.704 . . . . 74.120000000000005 110.283 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -121.0 142.92 49.34 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.249 -0.648 . . . . 74.140000000000001 109.249 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -66.71 132.65 48.57 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.236 -0.283 . . . . 72.310000000000002 110.236 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.803 -0.617 . . . . 53.149999999999999 110.272 -179.531 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.995 0.426 . . . . 75.040000000000006 110.46 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.05 17.05 14.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.503 0.668 . . . . 72.439999999999998 109.467 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.56 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 35.1 tt0 -98.77 153.76 18.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.089 -0.96 . . . . 74.030000000000001 110.171 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.98 -178.98 29.8 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.888 -0.672 . . . . 64.129999999999995 111.87 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.8 m -106.5 130.37 54.3 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.556 0.217 . . . . 62.119999999999997 110.502 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.82 116.83 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.582 -0.281 . . . . 74.340000000000003 110.54 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -79.99 -62.35 1.71 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.686 -0.487 . . . . 74.340000000000003 109.686 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.512 ' HD1' ' H ' ' A' ' 9' ' ' PHE . 4.2 t90 176.42 151.19 0.15 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.349 -0.611 . . . . 72.200000000000003 109.349 -177.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.81 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 9.3 m-85 -88.72 87.64 7.32 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.609 -0.886 . . . . 72.439999999999998 108.609 168.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.87 98.59 0.07 Allowed 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 122.052 0.93 . . . . 72.230000000000004 110.953 -160.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.22 -10.65 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 113.458 -1.701 . . . . 64.209999999999994 114.329 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -54.52 -37.6 65.57 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.975 -0.75 . . . . 73.129999999999995 108.975 167.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -116.11 -30.43 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.316 -0.857 . . . . 75.040000000000006 109.968 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.9 60.37 1.78 Allowed Glycine 0 C--N 1.332 0.338 0 N-CA-C 111.032 -0.827 . . . . 72.299999999999997 111.032 -173.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.43 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 33.5 m-85 -164.49 146.71 8.64 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 121.134 -0.226 . . . . 73.549999999999997 110.645 -164.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.81 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -89.98 141.49 16.04 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 119.398 -1.382 . . . . 64.510000000000005 114.27 -162.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 34.3 m-85 -122.01 134.54 54.8 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 114.897 -0.652 . . . . 75.230000000000004 109.653 170.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 52.4 mt -116.14 142.68 28.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-N 115.336 -0.847 . . . . 75.439999999999998 110.176 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.719 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 40.7 tt0 -101.7 124.86 48.05 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.434 -0.803 . . . . 72.109999999999999 110.643 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.661 ' HD3' ' CZ ' ' A' ' 49' ' ' PHE . 15.0 mtm180 -134.39 -171.86 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.808 -0.633 . . . . 73.109999999999999 109.697 176.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.61 -24.53 63.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.934 0.397 . . . . 75.219999999999999 110.769 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -85.3 -6.38 59.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 72.430000000000007 110.812 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.84 177.81 16.71 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.739 . . . . 64.230000000000004 112.208 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.719 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 8.5 p-10 -98.98 58.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.641 0.734 . . . . 71.340000000000003 110.369 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.4 28.15 4.69 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.659 -0.7 . . . . 64.109999999999999 111.303 -177.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 60.7 t -85.55 112.08 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.442 -0.503 . . . . 72.349999999999994 110.203 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -76.76 107.32 8.99 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.037 -0.529 . . . . 74.319999999999993 111.612 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.436 HG22 HG13 ' A' ' 18' ' ' ILE . 38.8 t -94.41 125.49 47.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.201 -0.454 . . . . 73.200000000000003 111.027 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -99.39 164.59 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.667 -0.697 . . . . 75.25 110.181 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 33' ' ' ILE . 22.0 p90 -66.38 -18.81 65.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.089 -0.505 . . . . 74.209999999999994 112.079 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.5 p -77.09 -11.29 59.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.036 0.446 . . . . 41.399999999999999 111.156 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.597 ' O ' HG12 ' A' ' 63' ' ' VAL . . . -82.79 -37.68 24.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.239 -0.437 . . . . 74.129999999999995 111.331 -178.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 30' ' ' PHE . 2.1 mp -49.98 128.39 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 123.895 0.747 . . . . 63.409999999999997 112.213 -172.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.599 ' NE2' HG11 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -83.09 159.38 22.12 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.894 -0.594 . . . . 75.400000000000006 110.143 -179.237 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.96 87.62 1.37 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.448 -0.882 . . . . 45.399999999999999 112.699 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -113.52 -77.24 0.58 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.854 -0.795 . . . . 73.519999999999996 108.854 171.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.83 23.55 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 114.631 -1.168 . . . . 73.409999999999997 110.314 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 40' ' ' SER . 55.6 m-85 -128.52 105.46 8.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.538 -0.331 . . . . 74.530000000000001 110.237 -174.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -82.21 -17.84 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.634 0.731 . . . . 74.140000000000001 109.089 174.711 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 38' ' ' PHE . 18.4 m -119.0 154.24 33.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.942 -1.026 . . . . 75.299999999999997 108.428 172.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.536 ' HB2' ' HE1' ' A' ' 9' ' ' PHE . 81.0 mt -106.62 147.41 29.53 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.647 -0.421 . . . . 73.230000000000004 110.726 -176.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 31.6 t70 -83.79 122.66 28.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.681 . . . . 73.340000000000003 110.58 -177.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.69 129.71 41.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.532 0.682 . . . . 74.329999999999998 111.163 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.28 -7.86 44.03 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.563 -0.827 . . . . 73.310000000000002 112.723 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 25.4 pt20 -89.8 150.98 22.02 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 117.405 0.603 . . . . 65.430000000000007 110.562 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.25 135.85 35.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.004 -0.544 . . . . 71.150000000000006 110.301 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.6 m -139.97 148.06 23.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.322 -0.399 . . . . 75.340000000000003 110.456 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.572 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 4.8 m -98.17 152.87 18.91 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.599 -0.889 . . . . 74.120000000000005 108.599 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.661 ' CZ ' ' HD3' ' A' ' 20' ' ' ARG . 51.5 p90 -159.75 163.8 34.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 118.683 0.674 . . . . 75.400000000000006 111.466 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -93.58 108.81 20.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.775 -0.648 . . . . 63.539999999999999 109.65 173.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.564 ' HB ' ' HE1' ' A' ' 49' ' ' PHE . 7.4 p -88.65 128.55 40.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.927 -0.579 . . . . 74.439999999999998 110.932 -177.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -132.16 136.23 46.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.53 . . . . 73.5 110.146 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -108.49 109.89 21.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 74.439999999999998 110.387 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.13 -147.63 9.33 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.637 -0.985 . . . . 64.349999999999994 110.637 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -89.41 13.29 14.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.745 0.783 . . . . 75.120000000000005 109.78 176.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -117.66 -162.26 0.86 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.716 -1.129 . . . . 75.129999999999995 108.691 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.463 ' O ' ' HG3' ' A' ' 59' ' ' GLN . . . -67.77 167.44 41.66 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.693 -0.765 . . . . 74.030000000000001 112.5 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.1 121.32 8.75 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.001 2.468 . . . . 75.109999999999999 111.594 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 63.0 mt-30 -112.91 142.84 45.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.077 0.465 . . . . 73.549999999999997 111.301 -172.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.28 120.34 39.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.434 -0.803 . . . . 73.209999999999994 110.541 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.06 136.91 55.01 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.566 -0.531 . . . . 73.310000000000002 109.566 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 62.48 98.78 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.588 0.555 . . . . 74.120000000000005 110.618 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.599 HG11 ' NE2' ' A' ' 34' ' ' GLN . 7.4 p -105.65 116.9 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.905 0.859 . . . . 72.200000000000003 111.191 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.572 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 21.5 tt0 -86.94 147.74 25.63 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.598 -1.183 . . . . 75.519999999999996 110.068 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -83.15 148.61 27.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.478 -0.328 . . . . 75.409999999999997 110.231 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.409 -0.805 . . . . 72.319999999999993 110.306 -179.144 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 1' ' ' MET . 19.9 ptt? . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.484 0.659 . . . . 75.540000000000006 110.207 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.448 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 28.4 mm-40 -103.88 124.5 49.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.088 0.471 . . . . 72.340000000000003 110.964 -175.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.51 ' NE2' ' HB2' ' A' ' 46' ' ' ALA . 17.8 tm0? -99.0 134.47 41.78 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.663 -0.699 . . . . 75.310000000000002 109.23 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.55 156.12 26.81 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.3 -0.952 . . . . 45.439999999999998 112.413 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m -111.64 121.72 45.89 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.113 -0.329 . . . . 71.349999999999994 110.113 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.08 114.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.126 -0.324 . . . . 64.019999999999996 110.126 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.583 ' HE3' ' HB2' ' A' ' 19' ' ' GLU . 40.2 ttmt -88.32 -52.71 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.4 -0.364 . . . . 74.340000000000003 111.017 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -163.4 174.4 11.99 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.882 -0.414 . . . . 75.510000000000005 109.882 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -129.5 94.39 3.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.627 0.727 . . . . 74.420000000000002 109.919 176.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.47 93.1 0.47 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.443 0.64 . . . . 75.430000000000007 111.074 -177.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.31 -25.33 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.236 -0.893 . . . . 75.439999999999998 111.684 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.35 -42.72 74.22 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.341 0.591 . . . . 70.400000000000006 110.289 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -97.09 -19.86 18.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.653 -0.703 . . . . 71.530000000000001 110.262 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.72 42.66 12.94 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.612 -0.722 . . . . 71.239999999999995 113.129 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -148.1 170.9 16.79 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.935 -0.395 . . . . 73.310000000000002 109.935 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 27' ' ' PHE . . . -98.52 140.74 15.19 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.641 -0.79 . . . . 64.439999999999998 111.314 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 25' ' ' ASP . 69.5 t80 -112.63 132.46 55.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.211 0.529 . . . . 73.230000000000004 110.767 -177.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.496 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 78.6 mt -127.29 139.93 50.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-N 115.431 -0.804 . . . . 75.519999999999996 110.676 -175.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.867 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 40.3 tt0 -104.36 146.58 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.695 -0.684 . . . . 75.120000000000005 110.601 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 27.4 mtp180 -135.71 179.75 6.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 73.140000000000001 110.796 175.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' OE1' ' HB3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.92 -30.51 58.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.612 -0.722 . . . . 74.129999999999995 110.712 179.159 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.32 5.75 22.19 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.425 -0.352 . . . . 64.340000000000003 111.125 178.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.22 168.38 12.42 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.962 -0.637 . . . . 52.25 111.81 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.867 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 12.7 p-10 -124.17 108.78 12.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.369 0.604 . . . . 71.219999999999999 111.071 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.507 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 30.2 t70 -170.07 26.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.299 -0.864 . . . . 72.349999999999994 108.776 176.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.496 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 41.9 t -89.13 115.94 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 115.608 -0.724 . . . . 73.299999999999997 110.102 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 57.1 m-85 -100.05 123.15 43.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.073 0.463 . . . . 74.200000000000003 111.096 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.5 p -94.82 138.56 20.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.896 -0.593 . . . . 73.510000000000005 110.046 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -98.73 154.2 18.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 72.239999999999995 109.973 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -67.48 -38.24 84.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.901 0.381 . . . . 72.319999999999993 111.024 -175.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -77.2 -2.84 36.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 72.120000000000005 111.218 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.58 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . . . -95.49 -5.29 43.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.146 0.498 . . . . 74.319999999999993 110.565 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.4 mt -88.22 149.62 4.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.573 -0.739 . . . . 75.430000000000007 109.571 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.6 pm0 -79.09 9.54 4.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.799 0.333 . . . . 53.229999999999997 111.745 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.67 173.39 16.05 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.877 -0.678 . . . . 62.32 112.393 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -115.38 -63.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.273 -0.64 . . . . 74.109999999999999 109.273 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.81 -33.36 75.3 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 110.977 -0.849 . . . . 71.140000000000001 110.977 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -91.33 87.97 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.906 -0.405 . . . . 73.25 109.906 173.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' H ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -112.69 11.01 19.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.553 0.692 . . . . 74.019999999999996 109.741 178.034 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 p -117.18 146.49 43.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.329 -0.851 . . . . 73.510000000000005 110.243 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.6 mt -117.16 152.19 35.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.284 -0.416 . . . . 73.230000000000004 110.19 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.5 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 28.7 t70 -84.86 129.53 34.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.216 -0.447 . . . . 63.539999999999999 110.935 -178.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.73 119.96 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 75.400000000000006 111.087 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.04 -7.21 37.69 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.782 -0.723 . . . . 63.219999999999999 113.08 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.595 ' OE1' ' HE2' ' A' ' 65' ' ' LYS . 24.1 pt20 -86.92 153.16 21.82 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 117.348 0.574 . . . . 74.019999999999996 110.665 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB2' ' NE2' ' A' ' 3' ' ' GLN . . . -95.79 139.4 32.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.744 -0.662 . . . . 74.540000000000006 110.253 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.79 165.07 32.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.041 0.448 . . . . 74.530000000000001 110.819 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -124.74 135.12 52.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.978 -0.749 . . . . 72.430000000000007 108.978 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -146.09 170.05 17.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.861 0.362 . . . . 72.200000000000003 111.167 -175.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -103.19 109.92 21.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.82 -0.627 . . . . 73.420000000000002 109.44 174.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.448 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 8.9 p -73.76 134.7 29.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.357 0.598 . . . . 72.430000000000007 111.253 -173.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -122.41 150.88 41.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.438 -0.801 . . . . 74.340000000000003 109.109 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -79.92 129.06 34.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.926 0.393 . . . . 71.519999999999996 110.435 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.23 179.24 36.25 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.955 -0.858 . . . . 74.519999999999996 110.955 175.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -72.49 -37.23 68.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.958 0.379 . . . . 74.239999999999995 111.351 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.8 mtm-85 -132.57 10.81 4.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.55 -0.46 . . . . 72.310000000000002 111.73 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.01 160.45 26.79 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.99 -1.1 . . . . 62.119999999999997 112.582 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -71.15 127.74 13.88 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.083 2.522 . . . . 73.219999999999999 111.962 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -111.38 138.48 47.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.059 0.457 . . . . 74.239999999999995 110.851 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.27 114.6 23.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.771 -0.65 . . . . 74.129999999999995 110.175 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.58 ' HA ' ' HB2' ' A' ' 32' ' ' ALA . . . -120.28 154.96 34.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.803 -0.635 . . . . 71.019999999999996 109.621 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 51.66 76.4 0.17 Allowed 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.462 0.476 . . . . 74.239999999999995 110.625 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.34 138.26 20.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.832 -0.622 . . . . 73.450000000000003 110.7 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -135.2 145.64 47.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.102 -0.499 . . . . 70.150000000000006 109.671 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.595 ' HE2' ' OE1' ' A' ' 45' ' ' GLN . 26.5 tptp -66.45 126.22 28.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.051 -0.352 . . . . 75.010000000000005 110.051 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.495 -0.764 . . . . 52.340000000000003 110.853 -178.537 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.657 ' H3 ' ' HA ' ' A' ' 50' ' ' ASP . 67.3 mtt . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.819 0.342 . . . . 72.040000000000006 110.511 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -100.02 -158.94 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.207 -0.664 . . . . 73.430000000000007 109.207 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -133.36 138.03 46.13 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.675 -0.491 . . . . 73.340000000000003 109.675 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.85 -169.23 16.43 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.778 -0.725 . . . . 73.409999999999997 112.132 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.6 m -125.7 138.37 53.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.814 0.34 . . . . 62.109999999999999 110.847 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.97 122.4 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.473 -0.566 . . . . 72.400000000000006 109.473 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -93.91 -46.01 7.37 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.945 -0.302 . . . . 73.430000000000007 111.447 -175.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.429 ' CZ3' ' HB3' ' A' ' 10' ' ' ASN . 9.0 t90 -167.5 167.07 13.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.779 -0.452 . . . . 75.030000000000001 109.779 -177.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.463 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 20.4 p90 -157.04 110.33 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.396 0.617 . . . . 74.219999999999999 111.217 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.758 HD22 ' HB2' ' A' ' 15' ' ' PHE . 3.7 p-10 -80.86 80.67 7.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.781 0.801 . . . . 71.400000000000006 110.37 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.34 -24.86 65.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.942 -1.026 . . . . 71.530000000000001 112.103 -175.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -34.92 74.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.47 -0.332 . . . . 74.019999999999996 111.153 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HB2' HD21 ' A' ' 10' ' ' ASN . 58.0 mttp -112.78 -2.93 14.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 75.299999999999997 111.277 -178.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.452 ' HA2' ' HE2' ' A' ' 30' ' ' PHE . . . 79.18 46.41 8.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.985 -0.626 . . . . 53.420000000000002 113.281 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.758 ' HB2' HD22 ' A' ' 10' ' ' ASN . 72.5 m-85 -145.83 177.96 8.53 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.819 -0.437 . . . . 75.510000000000005 109.819 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.463 ' CA ' ' HA ' ' A' ' 9' ' ' PHE . . . -174.26 -175.96 42.27 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.846 -0.692 . . . . 51.140000000000001 111.995 174.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.54 134.63 45.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.858 0.361 . . . . 75.409999999999997 110.464 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.3 mt -131.29 146.66 33.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.128 -0.693 . . . . 73.329999999999998 109.128 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.598 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 9.6 pt-20 -100.83 127.81 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.367 0.603 . . . . 73.120000000000005 112.052 -174.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -98.95 156.73 16.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.802 -1.185 . . . . 74.400000000000006 107.802 167.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.86 -8.54 53.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.117 0.414 . . . . 70.049999999999997 112.117 -174.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -112.43 -1.25 15.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.908 0.385 . . . . 75.120000000000005 110.584 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.67 104.69 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.954 -0.641 . . . . 73.150000000000006 111.926 -176.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.598 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.6 p-10 -93.95 58.3 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.468 0.651 . . . . 74.109999999999999 111.569 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -161.44 44.8 0.17 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.523 0.678 . . . . 74.299999999999997 110.843 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.2 t -86.98 131.38 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 64.239999999999995 110.078 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -82.97 115.33 21.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.241 -0.436 . . . . 75.409999999999997 110.415 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.565 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 10.3 p -101.97 145.7 11.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.187 0.518 . . . . 75.120000000000005 110.726 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.414 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 0.5 OUTLIER -129.94 155.22 46.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.482 -0.781 . . . . 73.209999999999994 109.052 177.151 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.544 ' HA ' HG12 ' A' ' 33' ' ' ILE . 73.3 m-85 -67.32 -15.88 63.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.509 0.559 . . . . 72.340000000000003 112.509 -170.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.414 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.7 m -69.63 -18.78 63.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.809 0.338 . . . . 62.32 110.979 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -91.04 -11.19 39.53 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.142 0.496 . . . . 72.310000000000002 110.715 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.544 HG12 ' HA ' ' A' ' 30' ' ' PHE . 45.5 mm -74.04 138.55 20.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.598 -0.728 . . . . 71.219999999999999 109.666 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -69.03 149.02 49.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.235 -0.439 . . . . 73.340000000000003 110.593 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 36' ' ' ASP . . . -91.41 170.98 34.58 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.842 -0.903 . . . . 71.430000000000007 110.842 173.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 8.9 t70 72.49 115.01 0.05 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.395 0.617 . . . . 74.530000000000001 111.168 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.78 -111.76 3.32 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.914 -0.66 . . . . 45.240000000000002 112.595 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -82.02 88.67 6.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.867 0.365 . . . . 65.150000000000006 110.927 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 17.95 10.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.751 0.786 . . . . 74.120000000000005 110.414 177.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.0 m -148.53 139.4 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.184 -0.916 . . . . 55.119999999999997 109.065 173.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.2 mt -107.87 136.6 47.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.796 0.331 . . . . 61.240000000000002 111.341 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.519 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 15.6 m-20 -84.25 122.76 29.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.644 . . . . 75.230000000000004 110.068 175.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.99 136.69 58.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.205 0.526 . . . . 75.329999999999998 110.255 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.97 -24.3 19.31 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.736 -0.745 . . . . 74.239999999999995 112.505 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 28.5 pt20 -85.23 150.13 25.01 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 117.514 0.657 . . . . 74.450000000000003 110.645 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.17 140.14 30.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.693 -0.685 . . . . 74.409999999999997 110.533 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.457 HG11 ' HD2' ' A' ' 65' ' ' LYS . 18.3 m -142.66 149.01 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.814 -0.63 . . . . 74.5 110.798 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.0 m -74.97 134.63 41.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.598 -1.26 . . . . 75.530000000000001 107.598 169.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.785 ' CE2' ' HB2' ' A' ' 60' ' ' ALA . 5.3 t80 -148.0 144.34 27.88 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.807 -0.757 . . . . 75.340000000000003 111.808 -164.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.657 ' HA ' ' H3 ' ' A' ' 1' ' ' MET . 23.9 t0 -105.34 167.27 9.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 53.140000000000001 110.387 178.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.9 p -142.6 136.52 27.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.276 0.56 . . . . 73.430000000000007 111.038 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.665 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 51.4 mm-40 -111.1 152.83 26.51 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.523 -0.762 . . . . 74.530000000000001 109.452 175.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.3 119.58 22.55 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.059 0.457 . . . . 74.349999999999994 110.326 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' A' ' 57' ' ' GLY . . . -96.07 170.73 27.79 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.793 -0.718 . . . . 75.120000000000005 112.9 -175.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -70.93 -39.77 72.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.239 0.542 . . . . 75.420000000000002 110.441 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -104.94 -52.28 2.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.702 -0.681 . . . . 72.129999999999995 110.094 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.465 ' O ' ' HA3' ' A' ' 54' ' ' GLY . . . -143.37 172.85 24.61 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.448 -0.796 . . . . 44.229999999999997 111.142 178.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -57.07 125.94 20.59 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.693 2.262 . . . . 74.209999999999994 112.171 -179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.665 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 9.7 pt20 -96.39 134.39 39.6 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.459 -0.571 . . . . 75.439999999999998 109.459 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.785 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . . . -76.52 145.72 38.93 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.896 -0.593 . . . . 70.019999999999996 111.666 -175.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -152.8 153.72 33.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.309 -0.405 . . . . 75.120000000000005 111.072 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 54.34 93.53 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.752 0.821 . . . . 72.430000000000007 112.755 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.633 HG21 ' HE1' ' A' ' 49' ' ' PHE . 62.1 t -83.29 129.72 37.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.803 -0.635 . . . . 75.340000000000003 110.068 170.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -136.38 125.45 24.44 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.917 -0.771 . . . . 71.430000000000007 108.917 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HD2' HG11 ' A' ' 47' ' ' VAL . 25.2 tptp -70.9 130.95 42.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.364 0.602 . . . . 75.420000000000002 111.912 -174.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.796 0 CA-C-N 115.035 -0.984 . . . . 72.310000000000002 109.345 172.702 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 109.473 -0.566 . . . . 72.310000000000002 109.473 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.444 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 76.0 mm-40 -117.61 146.79 43.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.155 0.502 . . . . 72.120000000000005 111.419 -173.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -139.93 118.34 12.15 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.647 -0.872 . . . . 74.209999999999994 108.647 172.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.59 -169.75 19.63 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.118 -1.039 . . . . 64.230000000000004 112.788 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 m -104.78 133.32 49.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.682 0.277 . . . . 75.219999999999999 110.482 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.29 111.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.014 -0.365 . . . . 73.310000000000002 110.014 178.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' HZ1' ' CG ' ' A' ' 24' ' ' ASP . 16.8 ttmm -78.61 -64.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.067 -0.515 . . . . 74.030000000000001 110.583 -176.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -176.24 142.82 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.642 -0.708 . . . . 73.239999999999995 109.393 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.629 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 31.9 p90 -138.64 123.25 18.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.076 0.465 . . . . 74.120000000000005 110.709 -178.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.497 HD21 ' HB2' ' A' ' 13' ' ' LYS . 1.2 p-10 -70.63 86.14 0.65 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.535 0.683 . . . . 63.350000000000001 110.6 176.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.74 -20.58 65.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.312 -0.858 . . . . 75.319999999999993 111.213 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.19 -33.15 67.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.007 -0.542 . . . . 75.200000000000003 110.204 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HB2' HD21 ' A' ' 10' ' ' ASN . 14.2 mmmm -103.48 -19.84 14.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 72.120000000000005 110.34 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.73 21.07 32.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.999 -0.619 . . . . 73.530000000000001 112.327 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -138.17 174.25 10.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.416 -0.587 . . . . 75.5 109.416 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.629 ' HA3' ' HA ' ' A' ' 9' ' ' PHE . . . 174.33 -166.62 38.66 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.38 -0.914 . . . . 74.200000000000003 112.542 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 95.9 m-85 -125.32 134.94 52.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.409 0.624 . . . . 74.5 111.372 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.528 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 61.9 mt -109.68 147.97 13.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.29 -0.868 . . . . 73.420000000000002 108.67 171.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -100.31 130.79 46.47 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.318 -0.623 . . . . 73.439999999999998 109.318 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -84.14 170.38 13.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.838 0.351 . . . . 73.340000000000003 110.524 -172.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.92 -46.64 62.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.174 -0.466 . . . . 73.549999999999997 109.918 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -93.64 -21.97 19.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.531 . . . . 72.430000000000007 111.27 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.98 -149.42 4.99 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.409 -0.9 . . . . 74.129999999999995 113.129 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' CG ' ' HZ1' ' A' ' 7' ' ' LYS . 29.7 t0 -145.38 -177.64 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.993 -0.373 . . . . 65.010000000000005 109.993 -177.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 63.75 85.39 0.13 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.753 0.821 . . . . 74.450000000000003 112.919 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.528 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 91.1 t -123.51 116.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.846 -0.615 . . . . 75.420000000000002 109.564 168.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -71.02 104.4 2.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.177 0.513 . . . . 71.099999999999994 110.655 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 p -95.0 144.83 9.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.835 -0.432 . . . . 71.329999999999998 109.835 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -138.35 138.83 38.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.466 -0.568 . . . . 75.310000000000002 109.466 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.469 ' HA ' HD12 ' A' ' 33' ' ' ILE . 42.0 p90 -51.57 -31.65 25.38 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.166 0.802 . . . . 72.439999999999998 113.166 -170.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 p -70.38 -13.3 62.08 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.357 0.503 . . . . 73.120000000000005 112.357 -175.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.84 -7.24 52.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.86 0.362 . . . . 63.310000000000002 111.342 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 30' ' ' PHE . 2.5 mp -90.27 134.66 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.097 0.475 . . . . 74.109999999999999 110.628 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -126.87 152.37 47.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.702 -0.681 . . . . 75.010000000000005 109.379 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.63 -164.5 35.42 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.197 -1.001 . . . . 53.149999999999999 112.155 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -86.18 -5.99 59.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.02 0.438 . . . . 64.430000000000007 110.539 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.3 55.96 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.779 -0.929 . . . . 65.109999999999999 110.779 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -131.17 117.76 19.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.89 0.376 . . . . 73.439999999999998 111.491 -173.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -117.55 1.48 12.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.722 0.772 . . . . 72.299999999999997 108.926 167.171 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.2 t -138.96 146.2 40.68 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.53 -1.214 . . . . 71.25 109.411 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -107.68 158.55 17.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.111 0.482 . . . . 71.329999999999998 110.767 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 11.2 m-20 -91.85 121.35 33.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.042 -0.526 . . . . 72.030000000000001 110.033 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.65 131.0 43.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.092 -0.504 . . . . 74.209999999999994 110.237 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.71 -10.75 56.11 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.631 -0.795 . . . . 65.329999999999998 112.649 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.407 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 18.9 pt20 -88.84 156.59 18.85 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 117.227 0.514 . . . . 73.5 110.175 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.464 ' O ' ' HB1' ' A' ' 66' ' ' ALA . . . -98.88 129.72 45.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.013 -0.54 . . . . 70.299999999999997 109.857 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.28 162.19 40.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.036 0.446 . . . . 74.129999999999995 110.873 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.2 m -116.92 148.52 41.28 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.628 -0.878 . . . . 73.549999999999997 108.628 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.522 ' CE1' HG12 ' A' ' 26' ' ' VAL . 22.9 p90 -162.92 160.55 25.0 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.24 0.543 . . . . 72.030000000000001 111.123 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -87.06 148.05 25.43 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.493 -0.928 . . . . 71.200000000000003 108.493 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.0 p -102.63 130.9 51.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.379 0.609 . . . . 75.299999999999997 111.918 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.489 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 23.5 mm-40 -104.0 140.16 38.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.342 -0.845 . . . . 74.340000000000003 109.857 173.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.02 148.29 46.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.782 0.325 . . . . 63.439999999999998 110.448 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 57' ' ' GLY . . . -132.28 157.2 22.39 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.779 -0.724 . . . . 71.450000000000003 111.45 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -86.21 4.81 37.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.118 0.485 . . . . 72.049999999999997 110.752 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -137.52 -52.39 0.65 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.391 -0.822 . . . . 75.049999999999997 109.159 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.413 ' O ' ' HA3' ' A' ' 54' ' ' GLY . . . -150.44 162.82 29.41 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.043 -0.823 . . . . 71.409999999999997 111.043 176.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.1 143.63 44.94 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.599 2.199 . . . . 72.310000000000002 112.365 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.489 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 24.6 pt20 -115.11 160.43 19.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.966 0.413 . . . . 74.430000000000007 110.615 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.5 129.56 36.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.769 -0.651 . . . . 73.409999999999997 111.143 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.36 136.61 39.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.702 -0.481 . . . . 64.319999999999993 109.702 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 61.48 88.35 0.09 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.157 0.503 . . . . 74.0 110.18 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -91.87 113.61 27.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.144 0.497 . . . . 74.329999999999998 111.16 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -92.95 125.09 37.37 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.047 -0.723 . . . . 73.230000000000004 109.047 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -69.98 120.29 15.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.135 0.493 . . . . 74.530000000000001 111.283 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.245 0.862 0 CA-C-N 115.592 -0.731 . . . . 70.140000000000001 109.135 174.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 109.302 -0.629 . . . . 74.230000000000004 109.302 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.72 ' HB3' HH11 ' A' ' 20' ' ' ARG . 5.7 mm-40 -116.69 176.03 5.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.217 -0.447 . . . . 73.510000000000005 110.735 -168.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -139.22 146.28 40.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.253 -0.647 . . . . 75.299999999999997 109.253 174.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.55 162.27 29.86 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.445 -0.883 . . . . 62.409999999999997 112.453 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 30.4 m -101.43 125.33 48.05 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 110.317 -0.253 . . . . 74.540000000000006 110.317 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.33 111.83 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.23 -0.656 . . . . 71.230000000000004 109.23 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.444 ' HD2' ' HB2' ' A' ' 19' ' ' GLU . 82.1 tttt -88.07 -55.98 3.52 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.012 -0.275 . . . . 74.219999999999999 111.113 -172.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -158.95 138.64 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.0 -0.28 . . . . 73.120000000000005 110.821 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.404 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 65.4 t80 -98.65 99.9 11.07 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.726 -0.472 . . . . 71.209999999999994 109.726 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.921 HD21 ' HB2' ' A' ' 13' ' ' LYS . 4.8 p-10 -71.81 82.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.962 0.887 . . . . 74.140000000000001 110.519 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.74 -26.56 68.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.759 -1.11 . . . . 73.120000000000005 112.32 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -72.64 -11.35 60.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.184 0.516 . . . . 72.129999999999995 110.914 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.921 ' HB2' HD21 ' A' ' 10' ' ' ASN . 30.7 mmmt -113.55 -21.23 10.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.037 -0.529 . . . . 74.549999999999997 110.091 173.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.5 26.73 24.48 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.83 -0.623 . . . . 74.540000000000006 112.548 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.722 ' HB2' HD22 ' A' ' 10' ' ' ASN . 96.4 m-85 -135.07 -178.22 5.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.552 -0.381 . . . . 75.319999999999993 109.998 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -140.4 154.22 23.97 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.738 -0.744 . . . . 63.140000000000001 111.6 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -111.5 134.36 53.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.995 0.426 . . . . 64.239999999999995 110.305 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.533 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 30.8 mt -114.59 136.13 52.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 CA-C-N 115.567 -0.742 . . . . 74.329999999999998 109.746 175.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.758 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 36.7 tt0 -103.31 123.39 46.7 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.25 -0.887 . . . . 73.129999999999995 110.074 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.72 HH11 ' HB3' ' A' ' 2' ' ' GLU . 11.8 ttp180 -122.66 176.3 6.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.896 -0.779 . . . . 75.230000000000004 108.896 176.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.535 ' H ' ' HG2' ' A' ' 20' ' ' ARG . 10.5 mm-40 -67.65 -7.26 25.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.017 0.436 . . . . 75.329999999999998 111.189 -178.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.03 12.61 25.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 71.420000000000002 110.779 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.95 155.7 9.16 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.62 -0.8 . . . . 74.430000000000007 112.85 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.758 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 18.7 p-10 -98.6 57.62 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.659 0.743 . . . . 75.430000000000007 110.103 177.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -122.51 15.51 10.37 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.563 -0.744 . . . . 73.400000000000006 110.45 -173.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.533 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 49.1 t -87.08 120.49 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.352 -0.385 . . . . 75.150000000000006 110.9 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -88.38 144.89 26.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 64.140000000000001 111.244 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 m -138.81 149.09 23.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 116.022 -0.535 . . . . 75.530000000000001 111.146 173.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -145.68 178.49 8.11 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.639 -0.874 . . . . 64.200000000000003 108.639 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 33' ' ' ILE . 94.4 m-85 -63.8 -10.02 17.87 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.658 0.614 . . . . 74.310000000000002 112.658 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -69.53 -19.18 63.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.146 0.498 . . . . 75.349999999999994 110.647 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.578 ' O ' HG22 ' A' ' 63' ' ' VAL . . . -102.8 -25.07 13.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.96 -0.564 . . . . 73.109999999999999 112.021 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 30' ' ' PHE . 11.4 tp -63.07 148.48 11.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 123.545 0.528 . . . . 73.219999999999999 111.972 -170.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.468 HE21 ' HB2' ' A' ' 38' ' ' PHE . 13.6 pt20 -80.25 -178.65 6.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.466 -0.788 . . . . 71.129999999999995 109.975 176.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -135.23 -155.08 7.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.563 -0.827 . . . . 64.099999999999994 111.692 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 71.87 -56.4 0.64 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.308 0.643 . . . . 74.409999999999997 111.928 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.69 -51.92 0.3 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.747 -0.739 . . . . 54.149999999999999 113.235 -176.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.468 ' HB2' HE21 ' A' ' 34' ' ' GLN . 98.2 m-85 -119.09 117.16 27.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.508 -0.407 . . . . 71.510000000000005 110.934 -176.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -94.76 0.65 55.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.367 0.603 . . . . 73.450000000000003 110.007 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.7 m -151.16 157.56 42.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 72.530000000000001 109.71 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.454 HD13 HG23 ' A' ' 47' ' ' VAL . 98.7 mt -113.98 165.0 13.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.011 0.434 . . . . 74.099999999999994 111.175 -175.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.547 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 0.9 OUTLIER -84.11 126.71 33.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.402 -0.817 . . . . 51.329999999999998 111.037 179.838 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.72 114.71 7.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.201 -0.666 . . . . 62.229999999999997 109.201 174.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.28 -1.34 26.69 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.5 -0.857 . . . . 72.329999999999998 112.868 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.547 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 15.8 pt20 -102.37 152.84 20.63 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 117.423 0.612 . . . . 73.230000000000004 110.023 177.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -93.66 134.37 36.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.049 -0.523 . . . . 75.439999999999998 110.033 177.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.454 HG23 HD13 ' A' ' 41' ' ' LEU . 1.3 m -140.75 154.85 21.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.989 0.423 . . . . 73.049999999999997 110.696 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.59 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 25.1 m -86.31 137.72 32.38 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.96 -0.563 . . . . 62.219999999999999 109.886 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.629 ' CZ ' HG23 ' A' ' 63' ' ' VAL . 8.5 m-85 -141.61 147.13 37.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 73.510000000000005 111.294 -175.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.66 103.45 15.14 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.166 -0.679 . . . . 74.430000000000007 109.166 170.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.568 HG12 ' HG3' ' A' ' 2' ' ' GLU . 11.0 p -95.8 141.37 15.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.048 0.452 . . . . 64.530000000000001 111.941 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -134.15 142.79 47.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.756 -0.656 . . . . 71.25 109.869 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 2.0 mp0 -85.46 118.65 25.12 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.243 -0.435 . . . . 70.340000000000003 110.758 -176.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.75 164.89 23.06 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.691 -0.766 . . . . 74.239999999999995 111.285 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -78.03 63.74 3.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.349 . . . . 75.230000000000004 111.098 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 171.73 -26.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.523 -0.762 . . . . 75.219999999999999 109.352 -177.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.49 151.85 7.35 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.08 -0.808 . . . . 73.530000000000001 111.08 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.549 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 57.2 Cg_endo -73.7 120.37 6.39 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.313 2.009 . . . . 64.030000000000001 112.064 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -112.64 144.0 42.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.06 0.457 . . . . 74.239999999999995 109.832 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' A' ' 51' ' ' VAL . . . -96.95 132.6 42.57 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.118 -0.492 . . . . 51.340000000000003 110.126 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.517 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . . . -122.54 169.01 11.44 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.258 -0.645 . . . . 71.219999999999999 109.258 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 58.84 94.44 0.03 OUTLIER 'General case' 0 C--O 1.242 0.66 0 CA-C-O 120.816 0.341 . . . . 74.200000000000003 110.965 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.629 HG23 ' CZ ' ' A' ' 49' ' ' PHE . 61.9 t -82.99 134.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.815 -0.63 . . . . 71.239999999999995 111.084 176.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.59 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 60.7 tt0 -133.94 125.17 27.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.805 -0.813 . . . . 65.239999999999995 108.805 171.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -61.85 131.31 49.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.157 0.503 . . . . 74.230000000000004 111.385 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.245 0.835 0 CA-C-N 115.461 -0.79 . . . . 53.229999999999997 109.366 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 tpp . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.978 0.418 . . . . 65.510000000000005 110.16 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -113.04 159.23 19.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.896 -0.593 . . . . 74.299999999999997 110.13 -176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? -131.33 125.73 33.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.073 -0.714 . . . . 73.510000000000005 109.073 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . -162.8 -153.11 7.06 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.116 -1.04 . . . . 70.450000000000003 112.937 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.0 m -132.66 142.59 49.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.644 -0.278 . . . . 74.209999999999994 110.287 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' A' ' 41' ' ' LEU . 46.8 t -71.17 124.37 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.826 -0.435 . . . . 75.129999999999995 109.826 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -95.89 -42.26 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.075 -0.25 . . . . 75.439999999999998 111.559 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -160.28 159.38 31.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.833 -0.432 . . . . 75.0 109.833 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.452 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 6.4 p90 -141.87 110.96 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.402 0.62 . . . . 75.329999999999998 110.262 177.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.526 HD22 ' HB2' ' A' ' 15' ' ' PHE . 7.5 p-10 -81.48 81.98 7.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 122.37 1.081 . . . . 74.219999999999999 110.058 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.81 -16.72 64.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.692 -1.14 . . . . 73.120000000000005 111.089 -177.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.49 ' HG3' ' HZ2' ' A' ' 13' ' ' LYS . 17.3 tp10 -56.85 -31.31 64.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.727 -0.67 . . . . 73.540000000000006 111.067 177.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.49 ' HZ2' ' HG3' ' A' ' 12' ' ' GLU . 31.6 mmtm -125.64 0.44 7.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.496 -0.32 . . . . 73.340000000000003 111.372 177.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.487 ' HA2' ' HE2' ' A' ' 30' ' ' PHE . . . 81.71 42.71 8.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.639 -0.791 . . . . 73.439999999999998 113.078 174.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.526 ' HB2' HD22 ' A' ' 10' ' ' ASN . 94.2 m-85 -137.09 -173.68 3.52 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.452 -0.573 . . . . 74.409999999999997 109.452 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 9' ' ' PHE . . . -172.07 176.14 45.19 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.665 -0.778 . . . . 51.130000000000003 111.888 173.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -121.63 133.0 54.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.672 -0.492 . . . . 75.019999999999996 109.672 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.9 mt -112.57 143.93 21.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.876 -0.602 . . . . 73.239999999999995 109.533 177.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.698 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 37.2 tt0 -101.25 117.33 34.76 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.917 -0.583 . . . . 71.420000000000002 110.031 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 24.2 ptt180 -107.05 -174.86 2.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.547 -0.908 . . . . 74.150000000000006 108.547 175.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.87 -45.4 78.2 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.944 -0.303 . . . . 65.25 111.11 -177.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -96.8 18.59 14.15 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.536 0.569 . . . . 75.140000000000001 112.536 -175.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.466 ' O ' ' HG2' ' A' ' 20' ' ' ARG . . . 165.95 137.88 2.3 Favored Glycine 0 C--O 1.227 -0.319 0 C-N-CA 119.449 -1.358 . . . . 70.299999999999997 113.691 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.698 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 12.4 p-10 -115.24 58.08 0.72 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.564 0.697 . . . . 73.120000000000005 110.032 178.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -152.48 30.35 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.339 -0.846 . . . . 52.119999999999997 109.381 -175.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.76 120.06 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.829 -0.623 . . . . 70.209999999999994 110.681 -176.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -73.9 111.81 9.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.029 -0.532 . . . . 73.040000000000006 111.094 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 p -98.79 138.92 21.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.21 0.528 . . . . 72.209999999999994 110.313 176.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -125.98 149.91 48.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.419 -0.809 . . . . 72.209999999999994 109.307 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.635 ' HA ' HG12 ' A' ' 33' ' ' ILE . 65.2 m-85 -64.94 -14.67 60.7 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.112 0.412 . . . . 74.329999999999998 112.112 -175.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 m -70.58 -3.51 18.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.984 0.421 . . . . 62.219999999999999 111.01 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.71 11.13 16.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 73.400000000000006 110.985 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.635 HG12 ' HA ' ' A' ' 30' ' ' PHE . 50.9 mm -87.77 134.23 28.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.551 -0.295 . . . . 71.209999999999994 110.538 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -80.64 -176.0 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 72.230000000000004 110.452 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.98 89.73 0.88 Allowed Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.404 -0.903 . . . . 71.5 111.67 175.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -121.38 156.77 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.1 -0.704 . . . . 71.25 109.1 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.78 -27.48 73.32 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.683 -0.77 . . . . 44.32 111.52 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -117.83 99.58 7.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.758 -0.83 . . . . 75.019999999999996 108.758 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.18 -0.03 43.14 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.189 0.518 . . . . 73.109999999999999 111.274 -171.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.514 ' HA ' ' HE1' ' A' ' 30' ' ' PHE . 37.8 m -104.05 157.61 16.99 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.085 -0.709 . . . . 63.140000000000001 109.085 173.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.515 ' HB3' HG21 ' A' ' 6' ' ' VAL . 84.9 mt -107.45 128.92 54.92 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.769 -0.372 . . . . 74.530000000000001 110.538 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -101.11 144.2 30.29 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.321 0.582 . . . . 74.019999999999996 110.804 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.04 122.86 17.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.284 -0.871 . . . . 74.25 110.123 -176.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.29 -21.64 10.71 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.297 -0.954 . . . . 65.120000000000005 113.109 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 41' ' ' LEU . 26.0 pt20 -81.27 138.21 35.76 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.573 -0.851 . . . . 71.530000000000001 110.304 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.89 134.26 33.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.774 -0.648 . . . . 74.040000000000006 110.79 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.9 m -138.61 148.23 24.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.372 0.606 . . . . 64.409999999999997 111.523 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.3 m -108.32 132.55 53.6 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.688 -1.227 . . . . 74.200000000000003 107.688 170.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -148.89 154.01 38.84 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.871 -0.418 . . . . 74.209999999999994 109.871 -171.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.547 ' HB2' HD22 ' A' ' 62' ' ' ASN . 33.7 t0 -87.06 160.22 18.67 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 119.271 -0.971 . . . . 55.329999999999998 109.665 176.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -120.21 124.08 71.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.437 0.637 . . . . 75.25 111.119 -175.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.453 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 42.7 mt-10 -95.09 124.39 39.1 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.738 -0.838 . . . . 71.430000000000007 108.738 174.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.98 128.12 35.64 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.758 -0.46 . . . . 74.200000000000003 109.758 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.53 153.47 38.89 Favored Glycine 0 N--CA 1.439 -1.108 0 C-N-CA 120.579 -0.819 . . . . 71.099999999999994 113.304 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -73.93 -20.75 60.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.737 -0.838 . . . . 63.350000000000001 108.737 171.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.0 mtp85 -150.93 -54.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.312 -1.313 . . . . 73.0 108.493 175.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.56 144.28 18.37 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.117 -0.947 . . . . 63.409999999999997 111.048 173.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -69.34 137.99 38.06 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 123.16 2.573 . . . . 71.340000000000003 112.287 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.453 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 14.1 pt20 -119.73 152.36 37.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.269 -0.423 . . . . 72.329999999999998 110.395 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.46 142.51 27.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 71.519999999999996 111.894 -175.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HB3' ' HG3' ' A' ' 52' ' ' GLU . . . -122.7 152.77 40.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.415 -0.812 . . . . 71.329999999999998 108.934 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.547 HD22 ' HB2' ' A' ' 50' ' ' ASP . 0.3 OUTLIER 23.24 101.59 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.283 1.216 . . . . 73.230000000000004 114.283 -173.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.9 t -97.12 110.41 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.584 -1.189 . . . . 74.099999999999994 110.887 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -100.91 154.15 18.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.375 -0.83 . . . . 70.129999999999995 109.56 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -81.22 130.34 34.99 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.813 -0.44 . . . . 74.340000000000003 109.813 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.613 -0.708 . . . . 65.239999999999995 110.444 -178.022 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.459 ' HA ' ' OD1' ' A' ' 50' ' ' ASP . 26.3 ptt? . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.666 0.269 . . . . 73.329999999999998 110.288 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.606 ' HG3' ' H ' ' A' ' 3' ' ' GLN . 4.5 tp10 -145.25 175.26 10.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.145 -0.48 . . . . 71.439999999999998 110.042 -174.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.606 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 23.5 tm0? -146.21 140.46 26.59 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 107.834 -1.173 . . . . 63.43 107.834 172.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.54 -153.6 8.12 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 119.461 -1.352 . . . . 71.099999999999994 113.397 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.3 m -142.53 145.73 33.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.565 -0.317 . . . . 74.319999999999993 110.202 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.89 114.38 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.73 -0.47 . . . . 75.230000000000004 109.73 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -74.15 -49.26 24.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.031 0.443 . . . . 74.349999999999994 110.175 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -166.69 171.48 11.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.846 -0.615 . . . . 74.239999999999995 109.356 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -140.35 101.57 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.514 0.674 . . . . 73.310000000000002 110.896 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.674 HD22 ' HB2' ' A' ' 15' ' ' PHE . 4.8 p-10 -77.74 82.78 4.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.721 0.772 . . . . 74.030000000000001 110.871 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.04 -19.02 63.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.3 -0.864 . . . . 73.439999999999998 111.568 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -54.34 -41.13 68.72 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.873 -0.603 . . . . 74.310000000000002 110.641 174.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' HB2' HD21 ' A' ' 10' ' ' ASN . 26.7 mmtp -106.33 -10.64 16.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.641 -0.709 . . . . 65.540000000000006 110.623 -177.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.49 36.97 18.7 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.844 -0.693 . . . . 74.140000000000001 111.744 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.674 ' HB2' HD22 ' A' ' 10' ' ' ASN . 77.8 m-85 -138.37 -174.93 3.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.566 -0.531 . . . . 73.209999999999994 109.566 -178.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.9 174.36 39.23 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 110.968 -0.853 . . . . 64.219999999999999 110.968 173.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -117.66 133.71 55.65 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.084 -0.339 . . . . 73.129999999999995 110.084 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -116.73 138.25 47.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.905 -0.589 . . . . 74.510000000000005 109.543 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 8.9 pt-20 -108.93 125.09 51.65 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.372 0.606 . . . . 65.140000000000001 110.934 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.581 ' HD3' ' HE2' ' A' ' 49' ' ' PHE . 44.1 mtm180 -102.67 168.61 9.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.496 -0.774 . . . . 73.25 110.204 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -77.0 -11.1 59.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.54 0.686 . . . . 71.299999999999997 109.779 172.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -111.0 19.58 18.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.06 -0.973 . . . . 75.430000000000007 109.63 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.63 118.11 1.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.965 -0.636 . . . . 53.32 111.914 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.585 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 5.3 p-10 -89.75 56.23 3.45 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.634 0.731 . . . . 74.319999999999993 111.512 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -156.83 95.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 72.219999999999999 110.903 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.811 HG12 ' HZ ' ' A' ' 49' ' ' PHE . 59.7 t -139.54 137.24 40.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.498 . . . . 70.430000000000007 110.127 172.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -85.78 111.33 20.05 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.181 -0.303 . . . . 75.340000000000003 110.181 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 p -96.27 140.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.259 0.552 . . . . 74.400000000000006 110.478 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -129.27 154.08 47.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.331 -0.989 . . . . 64.109999999999999 108.331 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.579 ' HA ' HD12 ' A' ' 33' ' ' ILE . 32.9 p90 -67.51 5.14 0.84 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.538 0.57 . . . . 74.319999999999993 112.538 -174.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 p -80.34 -19.57 46.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.803 0.335 . . . . 73.519999999999996 111.098 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.64 0.46 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 75.010000000000005 111.881 -177.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 30' ' ' PHE . 2.4 mp -95.58 140.55 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.35 -0.386 . . . . 74.310000000000002 110.026 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.435 HE22 ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -106.33 -170.65 1.76 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.395 -0.366 . . . . 72.099999999999994 110.456 -178.276 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.85 88.67 1.48 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.374 -0.917 . . . . 71.219999999999999 111.733 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -96.87 -20.78 17.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.561 0.696 . . . . 73.310000000000002 110.587 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.55 -39.92 2.3 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.828 -1.309 . . . . 70.109999999999999 109.828 -172.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -105.57 109.59 21.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.893 -0.78 . . . . 74.129999999999995 108.893 172.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 8.47 25.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.346 0.593 . . . . 75.310000000000002 110.606 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -120.04 162.75 18.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.326 -0.852 . . . . 74.430000000000007 109.123 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.88 147.74 29.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.75 0.31 . . . . 72.400000000000006 110.998 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.658 ' HB2' HE21 ' A' ' 45' ' ' GLN . 16.8 m-20 -111.02 132.45 54.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.955 -0.566 . . . . 64.140000000000001 110.102 178.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.36 113.31 6.57 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.237 0.541 . . . . 73.540000000000006 110.112 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.06 -4.96 28.75 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.328 -0.939 . . . . 74.209999999999994 113.534 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.658 HE21 ' HB2' ' A' ' 42' ' ' ASP . 6.9 pt20 -83.02 144.41 29.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.773 0.786 . . . . 71.019999999999996 110.34 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.6 142.87 27.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.985 -0.552 . . . . 73.319999999999993 110.78 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -145.2 153.94 14.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.25 -0.432 . . . . 74.140000000000001 111.192 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.8 m -85.91 133.72 33.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.225 -1.398 . . . . 71.409999999999997 107.225 167.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.811 ' HZ ' HG12 ' A' ' 26' ' ' VAL . 1.9 t80 -152.61 141.77 21.38 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.058 -0.657 . . . . 72.010000000000005 111.154 -165.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 26.8 t70 -110.03 146.25 35.65 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.429 -0.508 . . . . 75.420000000000002 109.696 174.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.22 129.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.904 0.383 . . . . 74.129999999999995 111.025 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -116.03 136.7 52.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.174 -0.466 . . . . 75.200000000000003 109.765 174.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.68 139.32 53.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.876 -0.602 . . . . 75.319999999999993 110.374 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -131.78 174.03 20.32 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.825 -0.703 . . . . 72.109999999999999 111.845 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -64.12 107.87 1.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.484 0.183 . . . . 73.0 110.881 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 56' ' ' ARG . 44.8 mtp180 65.16 20.83 12.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.885 -0.598 . . . . 74.219999999999999 111.797 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.16 129.52 1.06 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.597 -0.811 . . . . 74.329999999999998 112.38 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.24 143.62 35.79 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.746 2.298 . . . . 74.420000000000002 111.817 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -114.62 162.65 16.49 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.118 0.485 . . . . 75.549999999999997 110.752 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.578 ' HA ' ' HE1' ' A' ' 49' ' ' PHE . . . -73.77 135.33 43.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.27 -0.877 . . . . 72.040000000000006 111.692 -177.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.445 ' O ' ' HB3' ' A' ' 50' ' ' ASP . . . -134.25 114.97 13.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.831 -0.622 . . . . 73.049999999999997 109.833 175.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 64.39 91.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.025 0.44 . . . . 74.299999999999997 110.736 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.51 101.63 12.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.2 -0.667 . . . . 72.239999999999995 109.2 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.435 ' HA ' HE22 ' A' ' 34' ' ' GLN . 62.9 tt0 -103.49 135.15 45.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.182 -0.463 . . . . 72.430000000000007 110.149 -175.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -64.04 131.45 47.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.362 -0.381 . . . . 72.299999999999997 110.559 -177.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.573 -0.727 . . . . 71.120000000000005 110.211 178.804 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 109.274 -0.639 . . . . 61.100000000000001 109.274 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -88.88 90.48 8.43 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.567 -0.742 . . . . 71.329999999999998 111.509 -166.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -92.7 124.74 36.93 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.533 -0.914 . . . . 71.340000000000003 108.533 173.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.42 -157.96 13.48 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.087 -1.054 . . . . 73.040000000000006 112.691 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.3 m -117.96 138.81 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.661 0.267 . . . . 74.540000000000006 110.524 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.19 109.17 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.681 -0.488 . . . . 74.230000000000004 109.681 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -70.12 -58.31 3.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.174 -0.467 . . . . 74.239999999999995 110.124 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -166.94 140.32 3.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.014 -0.539 . . . . 74.109999999999999 109.985 -176.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.667 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 8.0 p90 -115.24 94.85 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.587 0.708 . . . . 72.400000000000006 110.108 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -68.68 89.76 0.39 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.682 -0.69 . . . . 54.439999999999998 111.707 -175.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.93 -14.32 62.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.617 -0.72 . . . . 75.439999999999998 110.445 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -55.4 -37.06 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.292 -0.867 . . . . 74.049999999999997 110.507 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -118.53 -11.79 9.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.732 -0.667 . . . . 73.219999999999999 110.643 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.26 43.58 6.2 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.876 -0.602 . . . . 65.439999999999998 112.439 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -139.41 -167.4 2.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.014 0.435 . . . . 74.430000000000007 110.633 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.667 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -162.81 160.15 32.56 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.288 -0.725 . . . . 72.040000000000006 111.288 176.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 94.0 m-85 -135.61 134.55 39.42 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.114 0.483 . . . . 73.140000000000001 110.868 178.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.526 HG12 ' CG2' ' A' ' 28' ' ' VAL . 41.4 mm -109.05 146.37 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.43 -0.805 . . . . 75.530000000000001 109.716 177.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -102.35 127.21 49.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.47 -0.567 . . . . 74.150000000000006 109.47 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -123.67 175.33 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.362 0.601 . . . . 72.319999999999993 112.309 -171.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.64 -48.3 60.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.948 -1.024 . . . . 72.439999999999998 111.112 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -97.09 -21.23 17.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.844 -0.616 . . . . 72.519999999999996 111.181 -172.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.42 152.39 21.96 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.482 -0.866 . . . . 63.140000000000001 112.874 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -112.55 143.08 44.31 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.354 -0.239 . . . . 72.099999999999994 110.354 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 54.28 77.94 0.18 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.715 -0.675 . . . . 70.150000000000006 111.609 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 40.9 t -86.14 134.35 27.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.661 -0.7 . . . . 75.439999999999998 109.327 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -70.8 109.75 5.17 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.547 0.53 . . . . 75.510000000000005 111.708 -173.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.526 ' CG2' HG12 ' A' ' 18' ' ' ILE . 46.8 t -102.96 131.44 51.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.974 -0.38 . . . . 74.450000000000003 109.974 175.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.17 151.1 50.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.87 -0.605 . . . . 72.129999999999995 109.823 178.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.438 ' HZ ' ' HD3' ' A' ' 39' ' ' LYS . 13.7 t80 -60.91 -20.74 62.53 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.153 0.427 . . . . 74.439999999999998 112.153 -170.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -64.09 -20.33 65.88 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.946 0.403 . . . . 71.340000000000003 111.287 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.513 ' CB ' ' HA ' ' A' ' 61' ' ' ALA . . . -92.1 -10.47 38.87 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.903 0.382 . . . . 72.319999999999993 111.787 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 39' ' ' LYS . 26.8 mm -80.85 137.52 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.921 -0.582 . . . . 74.340000000000003 110.67 -174.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -111.64 -176.9 3.05 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.141 -0.689 . . . . 75.049999999999997 109.141 172.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.52 88.84 1.18 Allowed Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 119.927 -1.13 . . . . 72.420000000000002 111.81 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -112.67 79.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.105 -0.702 . . . . 73.439999999999998 109.105 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.93 -55.98 3.51 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.268 -0.733 . . . . 54.310000000000002 111.268 -171.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -133.48 168.62 18.29 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.299 -0.63 . . . . 65.319999999999993 109.299 176.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' HD3' ' HZ ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -105.52 7.99 33.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.535 0.683 . . . . 72.219999999999999 109.719 173.313 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -111.08 138.34 47.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.086 -0.961 . . . . 70.319999999999993 109.017 174.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.4 mt -105.84 135.25 47.61 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.76 -0.459 . . . . 75.109999999999999 109.76 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 3.8 p-10 -96.19 125.59 40.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.604 0.716 . . . . 63.450000000000003 110.691 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' ' HE1' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -64.02 132.56 50.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.85 -0.614 . . . . 74.209999999999994 110.615 -178.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.59 -15.63 24.35 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.587 -0.733 . . . . 54.030000000000001 112.087 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 3.9 pt20 -84.39 152.01 24.33 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.856 0.36 . . . . 75.040000000000006 110.775 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.63 123.39 40.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.014 -0.539 . . . . 65.439999999999998 110.001 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.8 m -139.19 172.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.42 -0.354 . . . . 64.209999999999994 111.08 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.507 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 21.7 m -123.73 145.27 49.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.755 -0.657 . . . . 75.519999999999996 109.735 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.721 ' CE2' HG21 ' A' ' 63' ' ' VAL . 60.6 m-85 -135.61 150.2 49.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.176 0.512 . . . . 74.319999999999993 110.873 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -86.71 150.97 23.8 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.309 -0.997 . . . . 62.020000000000003 108.309 167.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p -107.58 134.64 48.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.251 0.548 . . . . 70.409999999999997 111.929 -170.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -123.33 123.57 41.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.471 -0.786 . . . . 73.230000000000004 109.915 173.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -90.36 114.62 26.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.011 0.434 . . . . 74.530000000000001 109.993 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -116.19 -171.15 16.05 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.84 -0.695 . . . . 73.329999999999998 113.032 -175.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -83.84 -18.5 37.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.884 0.374 . . . . 74.0 110.914 -176.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.733 ' HA ' ' HE ' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -91.56 -37.75 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.109 0.481 . . . . 73.400000000000006 109.977 177.408 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.5 -170.29 38.04 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.539 -0.755 . . . . 72.019999999999996 111.262 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -70.42 114.47 3.82 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.382 2.055 . . . . 74.140000000000001 111.903 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -95.97 136.96 35.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.452 . . . . 73.239999999999995 110.454 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.465 ' HB3' HG22 ' A' ' 28' ' ' VAL . . . -89.28 115.0 26.44 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.98 -0.748 . . . . 73.099999999999994 108.98 174.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.513 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . . . -121.71 164.86 16.68 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.002 -0.544 . . . . 72.030000000000001 110.152 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 51.92 90.68 0.02 OUTLIER 'General case' 0 C--O 1.242 0.67 0 O-C-N 123.43 0.456 . . . . 61.039999999999999 111.171 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.721 HG21 ' CE2' ' A' ' 49' ' ' PHE . 44.1 t -75.53 113.18 14.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 72.129999999999995 111.289 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.507 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 36.4 tt0 -106.37 135.95 46.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.254 -0.647 . . . . 74.420000000000002 109.254 175.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.449 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 13.4 tptm -86.64 148.77 25.32 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 121.044 -0.262 . . . . 72.219999999999999 110.495 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.667 -0.682 . . . . 74.129999999999995 110.07 179.264 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 mtp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.595 0.236 . . . . 74.420000000000002 110.778 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 26.3 mm-40 -96.26 81.83 3.36 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 120.036 -0.666 . . . . 73.219999999999999 109.499 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -114.02 143.68 44.35 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.834 -0.621 . . . . 73.0 109.797 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . 176.96 -176.46 48.06 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.594 -0.812 . . . . 74.329999999999998 112.195 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.9 m -91.04 132.55 35.94 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.838 0.351 . . . . 75.430000000000007 110.593 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 50.4 t -68.27 110.77 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.358 -0.608 . . . . 65.439999999999998 109.358 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -68.93 -61.97 1.58 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.387 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.9 t90 -178.46 140.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 75.239999999999995 109.553 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.872 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 17.6 p90 -99.34 113.69 26.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.206 0.527 . . . . 72.219999999999999 110.283 178.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -73.52 83.59 1.51 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.803 0.811 . . . . 74.109999999999999 110.959 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.49 -12.06 28.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.98 -1.009 . . . . 74.129999999999995 110.966 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -54.71 -44.87 73.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.738 -0.665 . . . . 64.510000000000005 110.405 174.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.73 -3.21 13.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 75.519999999999996 110.576 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.13 47.64 6.42 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.666 -0.697 . . . . 72.040000000000006 112.43 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -137.04 -165.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.493 -0.558 . . . . 70.25 109.493 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.872 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -157.73 161.73 31.6 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.8 -0.714 . . . . 73.239999999999995 112.034 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -129.23 133.9 47.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.932 0.396 . . . . 73.340000000000003 110.321 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.513 HG13 HG22 ' A' ' 28' ' ' VAL . 70.2 mt -129.83 145.84 35.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.232 -0.655 . . . . 61.43 109.232 176.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' O ' ' HA3' ' A' ' 4' ' ' GLY . 27.1 tt0 -111.69 119.06 37.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.752 0.31 . . . . 75.310000000000002 110.365 -176.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 85.6 mtm180 -90.03 157.63 17.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.892 0.377 . . . . 72.140000000000001 110.615 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.98 -13.47 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.824 0.821 . . . . 75.230000000000004 108.861 169.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -112.57 18.71 18.16 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.855 -1.066 . . . . 73.209999999999994 110.368 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . 157.5 108.44 0.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.217 -0.992 . . . . 51.340000000000003 112.642 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.44 143.9 46.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.841 0.353 . . . . 53.409999999999997 111.599 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.9 t70 63.94 99.4 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.179 -0.918 . . . . 74.219999999999999 112.57 175.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.1 t -120.36 134.63 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.676 -0.693 . . . . 75.140000000000001 110.185 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -81.8 106.09 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 75.140000000000001 110.626 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.513 HG22 HG13 ' A' ' 18' ' ' ILE . 62.0 t -88.43 132.01 34.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.063 -0.517 . . . . 71.230000000000004 111.056 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -118.94 177.75 4.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.899 -0.591 . . . . 54.299999999999997 109.968 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.544 ' HA ' HD12 ' A' ' 33' ' ' ILE . 50.6 p90 -67.27 -12.06 59.13 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.715 0.293 . . . . 72.409999999999997 111.486 -177.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 p -76.43 -15.87 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.093 0.473 . . . . 72.310000000000002 111.13 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' HB2' HG21 ' A' ' 63' ' ' VAL . . . -83.61 -29.67 27.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 72.120000000000005 110.694 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 30' ' ' PHE . 1.8 mp -62.63 136.95 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 73.420000000000002 110.299 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.43 176.77 5.13 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.807 -0.633 . . . . 72.219999999999999 110.734 -176.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 37' ' ' GLY . . . -78.59 -135.87 1.04 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.853 -0.689 . . . . 70.439999999999998 112.065 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 71.32 -40.02 0.47 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.255 0.622 . . . . 75.109999999999999 111.58 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 35' ' ' GLY . . . 138.2 27.13 0.31 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.793 -0.523 . . . . 61.119999999999997 111.793 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.99 161.08 15.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.246 0.546 . . . . 74.209999999999994 111.787 -175.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.28 -30.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.749 -1.114 . . . . 74.329999999999998 108.61 174.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 m -94.92 124.42 38.96 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.369 -0.832 . . . . 64.209999999999994 109.321 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.5 mt -106.63 148.03 28.81 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.784 -0.45 . . . . 73.349999999999994 109.784 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 6.2 m-20 -82.29 121.23 26.4 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.087 0.47 . . . . 74.310000000000002 110.28 -176.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.72 117.7 16.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.393 0.616 . . . . 75.409999999999997 110.179 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.45 -14.62 13.23 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.428 -0.805 . . . . 74.510000000000005 112.616 -175.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 23.9 pt20 -90.26 157.34 17.73 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.515 0.657 . . . . 74.340000000000003 110.737 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.65 135.38 40.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 73.340000000000003 110.774 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.4 m -135.49 163.8 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.338 -0.392 . . . . 54.420000000000002 110.88 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 m -119.68 134.38 55.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.409 -0.589 . . . . 75.439999999999998 109.409 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.448 ' HB3' ' HA ' ' A' ' 63' ' ' VAL . 46.4 p90 -150.38 -176.26 5.41 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 110.251 -0.277 . . . . 72.209999999999994 110.251 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -119.27 161.1 20.98 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.107 -0.637 . . . . 74.109999999999999 109.461 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.52 HG23 ' HB2' ' A' ' 58' ' ' PRO . 8.9 p -129.82 140.55 48.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 120.305 -0.558 . . . . 70.310000000000002 111.598 -172.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -103.07 102.13 12.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.957 -0.565 . . . . 65.519999999999996 109.572 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.558 ' HG2' ' HB3' ' A' ' 58' ' ' PRO . 35.9 mt-10 -85.13 120.99 27.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.096 -0.705 . . . . 54.109999999999999 109.096 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -120.75 -154.9 9.43 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.237 -0.982 . . . . 75.120000000000005 113.438 -173.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -80.27 21.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 123.393 0.677 . . . . 75.329999999999998 112.564 -172.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -155.45 -54.27 0.09 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.947 0.403 . . . . 74.219999999999999 110.248 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.68 177.88 36.0 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.622 -0.799 . . . . 62.130000000000003 111.72 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.558 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 97.7 Cg_endo -87.67 122.32 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.041 2.494 . . . . 64.040000000000006 112.645 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -100.22 133.9 43.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.77 -0.456 . . . . 71.239999999999995 109.77 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' ' 28' ' ' VAL . . . -79.67 135.3 36.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.687 0.28 . . . . 63.109999999999999 111.282 -178.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.96 139.77 34.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.014 -0.539 . . . . 73.049999999999997 110.304 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.419 ' N ' ' HA ' ' A' ' 32' ' ' ALA . 3.6 t30 55.17 97.47 0.02 OUTLIER 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.819 0.818 . . . . 74.010000000000005 112.119 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.459 HG21 ' HB2' ' A' ' 32' ' ' ALA . 86.2 t -107.16 119.46 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.327 -0.851 . . . . 73.530000000000001 111.02 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -99.9 136.57 39.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.739 -0.664 . . . . 75.340000000000003 109.299 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -63.95 124.73 22.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.46 -0.336 . . . . 75.219999999999999 110.34 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.688 0 CA-C-O 118.504 -0.76 . . . . 52.340000000000003 109.553 179.305 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mmt . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.676 0.274 . . . . 74.510000000000005 110.711 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -91.42 112.69 24.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.622 0.249 . . . . 74.5 111.623 -173.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -104.5 116.97 33.02 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.375 -0.602 . . . . 74.540000000000006 109.375 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.95 -177.45 20.65 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.355 -0.926 . . . . 64.340000000000003 113.018 -174.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 m -94.01 127.56 39.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.748 0.308 . . . . 64.140000000000001 111.192 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.524 ' HA ' HG12 ' A' ' 18' ' ' ILE . 48.5 t -68.15 124.75 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.340000000000003 109.931 176.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -80.23 -56.13 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.294 -0.632 . . . . 63.119999999999997 109.294 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -176.88 154.19 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.84 -0.618 . . . . 74.530000000000001 109.671 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.401 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 8.0 p90 -106.85 102.75 12.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.605 0.717 . . . . 74.420000000000002 110.807 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.649 HD22 ' HB2' ' A' ' 15' ' ' PHE . 6.9 p-10 -77.95 77.22 4.46 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.839 0.828 . . . . 73.409999999999997 110.97 -178.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.03 -15.55 62.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.127 -0.942 . . . . 70.109999999999999 110.923 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.0 -35.04 70.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.543 -0.753 . . . . 74.230000000000004 110.387 177.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -111.89 -9.42 14.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 75.099999999999994 110.385 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.89 34.97 7.96 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.971 -0.559 . . . . 54.240000000000002 112.884 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.649 ' HB2' HD22 ' A' ' 10' ' ' ASN . 92.4 m-85 -138.11 -172.84 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.188 -0.301 . . . . 71.219999999999999 110.188 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -156.72 152.47 23.84 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.344 -0.702 . . . . 71.430000000000007 111.344 174.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -113.36 134.55 54.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.945 0.402 . . . . 74.340000000000003 110.661 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.524 HG12 ' HA ' ' A' ' 6' ' ' VAL . 57.5 mt -130.16 142.04 44.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.505 -0.77 . . . . 61.299999999999997 109.508 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -104.81 118.76 37.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.11 -0.495 . . . . 74.439999999999998 110.086 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 12.7 mmm180 -110.78 176.96 4.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.202 0.525 . . . . 70.5 111.695 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -76.6 -47.53 22.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.885 . . . . 75.519999999999996 111.626 -174.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -91.92 -16.22 26.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.115 0.483 . . . . 71.340000000000003 110.395 -176.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . -153.74 129.69 2.74 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.796 -0.716 . . . . 74.510000000000005 112.238 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -106.83 167.24 10.01 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.757 -0.46 . . . . 75.319999999999993 109.757 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 62.22 55.62 2.37 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.421 0.629 . . . . 64.519999999999996 110.28 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.28 132.89 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.736 -0.666 . . . . 75.340000000000003 110.326 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -89.3 117.42 28.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 70.430000000000007 111.126 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.513 HG13 ' HB1' ' A' ' 60' ' ' ALA . 3.1 m -106.41 149.92 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.747 -0.464 . . . . 73.439999999999998 109.747 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -126.83 140.63 52.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.499 -0.318 . . . . 75.349999999999994 110.621 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.546 ' HA ' HD11 ' A' ' 33' ' ' ILE . 89.8 t80 -53.34 -35.41 60.21 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.973 0.731 . . . . 72.329999999999998 112.973 -172.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -65.82 -10.76 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.472 0.545 . . . . 73.239999999999995 112.472 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.01 -12.62 38.07 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.053 0.454 . . . . 74.420000000000002 110.745 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' A' ' 30' ' ' PHE . 2.0 mp -83.36 133.4 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 74.049999999999997 110.292 -177.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -81.74 154.63 25.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.137 -0.483 . . . . 75.230000000000004 109.926 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.95 -149.73 25.45 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.195 -1.003 . . . . 75.409999999999997 113.249 -176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t70 68.2 98.74 0.06 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.389 0.614 . . . . 75.530000000000001 110.914 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.01 -65.12 3.94 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.563 -0.744 . . . . 72.209999999999994 112.469 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.61 147.28 40.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.154 0.502 . . . . 71.120000000000005 111.403 -176.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 20.24 0.93 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.163 -0.926 . . . . 74.540000000000006 108.734 173.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -133.36 155.43 49.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.635 -1.166 . . . . 65.340000000000003 109.386 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.9 mt -110.5 134.42 52.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.612 0.244 . . . . 65.340000000000003 110.436 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.466 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 11.2 m-20 -83.27 124.25 30.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.604 -0.517 . . . . 73.049999999999997 109.604 175.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -69.41 116.52 9.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.991 -0.549 . . . . 65.349999999999994 110.354 -179.013 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.13 -13.82 31.25 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.62 -0.8 . . . . 72.420000000000002 112.71 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 16.0 pt20 -86.41 158.24 19.65 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 117.1 0.45 . . . . 73.450000000000003 110.457 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.05 136.04 33.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.97 -0.559 . . . . 61.340000000000003 110.234 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.54 161.04 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.558 -0.292 . . . . 75.540000000000006 110.65 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 9.3 m -105.89 133.89 49.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.396 -0.366 . . . . 65.049999999999997 110.275 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.636 ' CE2' HG23 ' A' ' 63' ' ' VAL . 12.3 m-85 -136.47 158.02 45.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.111 -0.495 . . . . 74.209999999999994 109.758 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -110.51 107.41 17.04 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.59 -0.522 . . . . 75.239999999999995 109.59 170.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.38 147.03 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 63.420000000000002 111.303 -172.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -136.86 117.38 13.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.402 -0.817 . . . . 73.040000000000006 110.272 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.39 109.77 9.2 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.84 -0.8 . . . . 75.340000000000003 108.84 172.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -117.74 -148.5 8.68 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.562 -0.828 . . . . 63.399999999999999 113.732 -171.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -80.17 40.16 0.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.768 0.655 . . . . 62.130000000000003 112.768 -170.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 179.33 -27.3 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.703 0.287 . . . . 72.209999999999994 111.31 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.35 -168.93 37.51 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.713 -0.756 . . . . 75.150000000000006 111.719 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.85 103.47 1.58 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.932 2.421 . . . . 71.409999999999997 112.08 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -102.38 134.1 46.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.892 -0.595 . . . . 74.340000000000003 109.765 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.513 ' HB1' HG13 ' A' ' 28' ' ' VAL . . . -97.24 128.44 44.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.042 0.448 . . . . 73.510000000000005 111.392 -177.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.01 177.41 7.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.672 -0.694 . . . . 72.010000000000005 109.45 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 55.73 90.38 0.03 OUTLIER 'General case' 0 C--O 1.239 0.532 0 O-C-N 123.567 0.542 . . . . 72.420000000000002 110.98 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.636 HG23 ' CE2' ' A' ' 49' ' ' PHE . 47.6 t -94.67 124.43 47.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.036 -0.529 . . . . 73.430000000000007 111.732 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.532 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 35.1 tt0 -121.63 132.37 54.62 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.99 -0.744 . . . . 74.409999999999997 108.99 174.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -74.57 134.73 42.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.02 0.438 . . . . 73.329999999999998 111.271 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-N 115.612 -0.722 . . . . 74.230000000000004 109.352 173.562 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.081 0.467 . . . . 74.230000000000004 110.492 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.521 ' OE2' ' HD2' ' A' ' 20' ' ' ARG . 7.6 tp10 -132.45 160.89 35.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.377 -0.829 . . . . 74.040000000000006 109.074 -175.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -136.61 147.27 46.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.762 0.315 . . . . 65.510000000000005 110.691 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.532 ' HA3' ' HA ' ' A' ' 20' ' ' ARG . . . -178.2 -150.32 8.6 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.7 -0.762 . . . . 54.140000000000001 112.592 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 m -139.0 138.8 37.57 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.169 -0.308 . . . . 74.340000000000003 110.169 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.14 122.19 17.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.583 -0.28 . . . . 73.540000000000006 111.028 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -74.48 -54.73 6.97 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.63 -0.507 . . . . 74.530000000000001 109.63 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -178.61 139.44 0.18 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.28 -0.873 . . . . 75.25 109.762 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.408 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 51.6 t80 -100.97 97.76 8.3 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.667 -0.494 . . . . 74.239999999999995 109.667 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -69.0 81.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.746 0.784 . . . . 75.230000000000004 111.384 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.06 -14.86 53.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.256 -0.884 . . . . 74.430000000000007 111.12 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -57.19 -37.48 72.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.849 -0.614 . . . . 74.230000000000004 110.209 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -104.86 -21.83 13.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.608 -0.724 . . . . 72.420000000000002 110.402 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.12 27.41 10.95 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.84 -0.695 . . . . 74.019999999999996 111.819 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.9 -170.29 3.0 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.791 -0.818 . . . . 73.209999999999994 108.791 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 9' ' ' PHE . . . -169.21 163.91 37.54 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.197 -1.001 . . . . 63.340000000000003 112.331 176.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -112.16 135.48 52.77 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.518 -0.549 . . . . 74.340000000000003 109.518 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.577 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 57.3 mt -127.43 145.06 35.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.11 0.481 . . . . 74.129999999999995 110.286 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 51.6 tt0 -101.46 145.15 29.36 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.388 -0.823 . . . . 62.549999999999997 109.164 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.532 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 16.2 ptt180 -132.69 171.4 13.91 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.188 -0.301 . . . . 74.510000000000005 110.188 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -63.06 -19.81 64.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.095 0.474 . . . . 72.540000000000006 110.821 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -102.36 13.25 35.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.709 -0.678 . . . . 74.219999999999999 111.817 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' O ' ' HG2' ' A' ' 20' ' ' ARG . . . 133.79 165.95 11.17 Favored Glycine 0 C--O 1.223 -0.551 0 C-N-CA 120.564 -0.827 . . . . 73.219999999999999 112.609 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.489 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 19.8 p-10 -95.86 56.73 1.75 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.472 0.653 . . . . 74.019999999999996 110.878 -179.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -140.66 81.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.539 0.685 . . . . 73.329999999999998 111.745 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.577 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 84.2 t -133.99 120.2 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.498 -0.774 . . . . 74.319999999999993 109.761 171.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -95.74 107.23 19.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.943 0.402 . . . . 73.540000000000006 110.729 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -99.55 150.08 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.292 -0.413 . . . . 73.340000000000003 110.883 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -144.37 164.83 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.553 . . . . 75.010000000000005 109.969 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -51.96 -40.58 61.08 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.272 0.842 . . . . 74.129999999999995 113.272 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -63.9 -3.01 2.15 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.033 0.753 . . . . 72.040000000000006 113.033 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.438 ' O ' HG21 ' A' ' 63' ' ' VAL . . . -97.97 -15.59 20.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.681 0.277 . . . . 71.519999999999996 111.627 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.413 HD11 ' N ' ' A' ' 33' ' ' ILE . 2.7 mp -87.93 141.94 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.014 -0.539 . . . . 74.200000000000003 110.896 -173.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.51 -169.6 1.7 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 62.340000000000003 109.924 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.89 89.16 0.56 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.28 -0.962 . . . . 63.409999999999997 111.833 174.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -100.3 -43.13 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.52 0.676 . . . . 72.519999999999996 110.22 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.36 -36.97 0.86 Allowed Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 109.825 -1.31 . . . . 44.229999999999997 109.825 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -106.18 168.52 9.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.149 -0.685 . . . . 75.430000000000007 109.149 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.64 13.76 24.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.347 0.594 . . . . 73.230000000000004 110.65 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 p -156.21 178.53 10.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.399 -0.819 . . . . 74.129999999999995 109.545 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -107.51 129.11 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.991 0.424 . . . . 74.430000000000007 110.829 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.502 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 2.9 m-20 -92.96 131.29 38.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.498 0.666 . . . . 73.430000000000007 111.35 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -57.88 131.41 50.3 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.942 -1.026 . . . . 73.200000000000003 110.629 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.5 -24.75 14.83 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.374 -0.917 . . . . 71.329999999999998 112.935 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.524 ' OE1' ' HE3' ' A' ' 65' ' ' LYS . 28.2 pt20 -81.0 142.01 33.84 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.024 -0.671 . . . . 74.099999999999994 110.763 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.69 135.38 39.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 65.230000000000004 110.099 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.0 m -143.47 167.48 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.269 0.556 . . . . 74.349999999999994 111.28 -177.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.581 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 24.8 m -108.26 139.47 42.91 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.205 -1.035 . . . . 72.010000000000005 108.205 171.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.514 ' CZ ' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -141.02 145.59 36.11 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 121.128 -0.229 . . . . 71.120000000000005 110.633 -170.234 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -96.97 156.58 16.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.377 -0.971 . . . . 71.310000000000002 108.377 169.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.75 131.52 62.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.473 0.654 . . . . 74.349999999999994 112.429 -171.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -119.07 103.21 9.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.11 -0.95 . . . . 75.010000000000005 109.055 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.613 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 67.9 mt-10 -71.97 123.18 22.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.032 0.444 . . . . 73.409999999999997 110.488 -177.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.3 -148.19 10.11 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.522 -0.763 . . . . 72.519999999999996 112.422 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -76.04 -34.56 59.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.809 0.338 . . . . 74.120000000000005 111.155 -174.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.45 23.46 1.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 72.010000000000005 111.712 -176.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.451 ' HA2' ' HD3' ' A' ' 58' ' ' PRO . . . -173.9 138.27 4.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.147 -1.025 . . . . 74.329999999999998 112.796 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.613 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 7.0 Cg_exo -73.1 106.32 2.13 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 123.117 2.545 . . . . 74.209999999999994 111.924 176.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -98.64 134.45 41.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.988 0.423 . . . . 74.109999999999999 110.112 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.78 146.41 24.56 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.14 -0.482 . . . . 71.420000000000002 111.745 -173.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.2 158.42 43.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.377 -0.829 . . . . 75.420000000000002 109.533 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 63.1 90.64 0.08 Allowed 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.315 0.384 . . . . 70.340000000000003 110.66 -176.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.514 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 62.0 t -83.21 138.3 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.318 -0.401 . . . . 74.409999999999997 110.242 173.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.581 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 34.8 tt0 -123.5 125.28 44.62 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.69 -0.856 . . . . 71.209999999999994 108.69 169.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.524 ' HE3' ' OE1' ' A' ' 45' ' ' GLN . 21.1 tptm -77.39 133.23 38.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 75.430000000000007 110.427 -175.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.298 -0.858 . . . . 74.400000000000006 110.202 179.802 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.656 ' H3 ' ' HA ' ' A' ' 50' ' ' ASP . 66.6 mtt . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.002 0.43 . . . . 73.140000000000001 110.831 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.478 ' OE2' ' HB3' ' A' ' 20' ' ' ARG . 33.1 tt0 -167.9 151.16 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.265 -1.013 . . . . 74.319999999999993 108.265 176.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -87.05 125.58 34.2 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.723 -0.391 . . . . 64.530000000000001 110.432 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.33 162.52 13.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.879 -0.677 . . . . 72.430000000000007 112.195 -177.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.8 m -117.12 126.12 52.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.617 0.246 . . . . 72.019999999999996 110.447 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.583 ' HA ' HG12 ' A' ' 18' ' ' ILE . 64.0 t -66.68 121.11 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 72.209999999999994 110.964 -177.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.86 -62.03 1.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.582 -0.281 . . . . 72.209999999999994 110.404 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -172.71 142.05 1.14 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.254 -0.43 . . . . 72.519999999999996 110.308 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.427 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 44.3 m-85 -101.69 107.21 18.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.358 -0.383 . . . . 74.310000000000002 110.688 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -73.31 77.5 1.34 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 122.393 1.092 . . . . 73.140000000000001 109.905 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.61 -11.21 42.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.61 -1.177 . . . . 74.200000000000003 111.798 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.48 -38.9 78.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.544 . . . . 71.430000000000007 110.359 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -110.76 -7.79 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.06 0.457 . . . . 75.329999999999998 110.441 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.68 44.21 5.86 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.763 -0.732 . . . . 72.099999999999994 112.487 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -138.99 -169.56 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.52 -0.548 . . . . 74.239999999999995 109.52 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -167.37 167.13 39.72 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.479 -0.867 . . . . 50.310000000000002 112.221 175.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -120.17 135.23 55.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.658 -0.497 . . . . 74.230000000000004 109.658 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.751 HD12 ' HE2' ' A' ' 49' ' ' PHE . 27.8 mt -133.92 144.38 35.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.11 -0.496 . . . . 74.230000000000004 109.692 177.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -100.59 150.23 22.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.625 -0.261 . . . . 75.200000000000003 110.513 -174.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.484 ' HD2' HG12 ' A' ' 51' ' ' VAL . 74.2 mtp180 -116.61 174.01 6.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.994 0.426 . . . . 75.340000000000003 110.756 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -84.91 -36.51 21.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.654 -0.703 . . . . 73.120000000000005 109.414 171.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -103.7 5.17 36.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.78 -0.645 . . . . 74.519999999999996 111.566 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . -157.28 160.76 30.75 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.638 -0.792 . . . . 72.239999999999995 112.459 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -119.73 152.36 37.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.916 -0.167 . . . . 71.400000000000006 110.725 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.7 t70 46.92 79.56 0.06 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 124.355 1.035 . . . . 64.329999999999998 112.313 172.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -104.85 137.12 35.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.048 -0.524 . . . . 73.239999999999995 110.225 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -84.05 116.86 23.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.414 0.626 . . . . 74.430000000000007 111.054 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.611 HG23 ' HZ ' ' A' ' 49' ' ' PHE . 7.7 p -108.45 145.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.545 -0.752 . . . . 73.120000000000005 109.872 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.415 ' HD2' ' HB2' ' A' ' 31' ' ' SER . 0.6 OUTLIER -139.07 167.27 22.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.681 -0.691 . . . . 71.319999999999993 109.767 -178.783 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.542 ' HA ' HD13 ' A' ' 33' ' ' ILE . 95.4 m-85 -67.36 -8.53 33.41 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.999 0.37 . . . . 73.140000000000001 111.999 -172.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.415 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 3.6 m -66.88 -21.43 66.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.135 0.493 . . . . 75.400000000000006 110.238 173.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . . . -89.28 -19.42 25.36 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.753 -0.658 . . . . 74.329999999999998 110.967 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.542 HD13 ' HA ' ' A' ' 30' ' ' PHE . 1.7 mp -72.77 133.48 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.605 -0.725 . . . . 74.299999999999997 110.681 -177.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.82 -175.49 5.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.697 -0.683 . . . . 73.200000000000003 111.477 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.25 -129.45 4.02 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.873 -0.679 . . . . 65.400000000000006 112.691 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.18 127.5 32.43 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.21 0.529 . . . . 74.420000000000002 111.352 -176.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.37 -84.77 0.17 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.235 -0.746 . . . . 74.540000000000006 111.235 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -151.93 85.22 1.29 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.089 -0.708 . . . . 75.430000000000007 109.089 174.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.75 4.87 53.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.441 -0.799 . . . . 75.409999999999997 111.957 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 m -110.05 137.18 48.17 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.493 -0.558 . . . . 74.129999999999995 109.493 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.427 HD12 ' CZ ' ' A' ' 9' ' ' PHE . 89.0 mt -119.31 129.41 54.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.865 0.364 . . . . 75.329999999999998 111.127 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.474 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 1.7 m-20 -96.16 140.96 30.11 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 115.752 -0.658 . . . . 73.219999999999999 111.012 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.96 134.64 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 63.399999999999999 111.091 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.62 -10.9 62.93 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 120.51 -0.852 . . . . 65.340000000000003 113.142 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.474 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 18.2 pt20 -91.17 153.25 20.16 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 117.824 0.812 . . . . 64.329999999999998 110.676 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' O ' ' HB1' ' A' ' 66' ' ' ALA . . . -101.52 143.01 32.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.97 -0.559 . . . . 74.430000000000007 110.812 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.01 158.55 13.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.965 -0.561 . . . . 74.040000000000006 109.675 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.608 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 11.9 m -84.49 134.38 34.44 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.61 -0.885 . . . . 74.209999999999994 108.61 173.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.751 ' HE2' HD12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -136.28 145.07 45.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.785 0.326 . . . . 75.109999999999999 110.755 -170.388 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.656 ' HA ' ' H3 ' ' A' ' 1' ' ' MET . 27.4 t70 -101.14 103.75 14.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.372 0.606 . . . . 75.019999999999996 109.888 172.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.484 HG12 ' HD2' ' A' ' 20' ' ' ARG . 6.5 p -106.73 140.32 25.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.828 -0.624 . . . . 74.239999999999995 111.174 -173.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -135.09 157.42 46.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.684 -0.689 . . . . 72.219999999999999 109.892 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -96.11 110.05 22.38 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.026 -0.731 . . . . 71.310000000000002 109.026 176.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -99.99 -147.91 21.94 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.652 -0.785 . . . . 71.329999999999998 112.936 -172.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -69.99 95.24 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.607 -0.296 . . . . 74.030000000000001 110.66 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 56' ' ' ARG . 22.6 ttm-85 76.77 -42.88 0.44 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.291 -0.868 . . . . 75.439999999999998 111.761 177.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.84 152.38 18.02 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.671 -0.776 . . . . 70.019999999999996 112.879 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.17 128.97 15.41 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.939 2.426 . . . . 60.420000000000002 111.759 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -120.15 142.38 49.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.202 -0.454 . . . . 63.340000000000003 109.893 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -124.37 145.56 49.38 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.257 -0.577 . . . . 73.049999999999997 112.325 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 32' ' ' ALA . . . -139.86 169.77 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.296 -0.865 . . . . 73.140000000000001 109.428 177.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 60.38 94.23 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.45 0.3 . . . . 74.140000000000001 111.689 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.61 115.38 43.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 C-N-CA 120.041 -0.664 . . . . 75.430000000000007 110.479 173.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.608 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 55.0 tt0 -103.98 124.43 49.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.158 -0.682 . . . . 65.430000000000007 109.158 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -69.79 127.91 34.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.106 0.479 . . . . 74.209999999999994 111.695 -175.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.71 -0.677 . . . . 50.439999999999998 109.178 171.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.664 ' HA ' ' HA ' ' A' ' 50' ' ' ASP . 2.0 mpt? . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.68 0.276 . . . . 74.409999999999997 110.323 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -140.39 147.72 40.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.261 -0.427 . . . . 74.340000000000003 110.344 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -102.52 117.15 34.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.651 -0.499 . . . . 75.239999999999995 109.651 178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.59 -174.64 17.02 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.266 -0.969 . . . . 73.319999999999993 113.235 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.6 m -118.07 132.38 56.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.625 0.25 . . . . 74.5 110.496 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -70.68 125.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.391 . . . . 75.340000000000003 110.368 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 43' ' ' GLU . 21.3 ttmm -81.3 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.886 -0.413 . . . . 73.120000000000005 109.886 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 21.2 t90 178.74 151.29 0.3 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.856 -0.611 . . . . 73.439999999999998 109.769 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.8 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 6.2 p90 -116.18 90.54 3.36 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 120.763 0.316 . . . . 64.129999999999995 110.458 178.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.47 90.77 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.211 0.529 . . . . 62.039999999999999 111.159 -156.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.25 -24.05 0.66 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 115.095 1.517 . . . . 70.239999999999995 115.095 -172.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.36 -27.46 67.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.164 0.507 . . . . 72.420000000000002 110.038 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 7.3 mmpt? -117.9 -20.38 8.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.302 -0.863 . . . . 75.109999999999999 109.642 170.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.1 72.94 0.92 Allowed Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.599 -0.728 . . . . 63.039999999999999 111.35 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.524 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 19.5 m-85 -156.29 122.83 5.12 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 120.036 -0.666 . . . . 73.049999999999997 111.778 -168.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.8 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -92.1 147.33 18.67 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.166 -1.016 . . . . 52.25 113.714 -167.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 69.3 m-85 -128.82 134.58 48.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.149 -0.526 . . . . 75.010000000000005 109.694 170.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.603 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 56.7 mt -107.49 147.3 12.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-N 115.545 -0.752 . . . . 74.310000000000002 109.304 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.791 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 25.9 tt0 -106.61 119.61 39.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.878 -0.601 . . . . 74.310000000000002 109.948 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.586 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -132.91 -176.37 4.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.15 0.5 . . . . 74.310000000000002 112.033 -176.405 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.3 -21.16 62.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.239 -0.891 . . . . 74.230000000000004 111.127 -177.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -103.23 13.24 34.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.301 -0.409 . . . . 73.310000000000002 110.453 -175.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.73 166.49 11.34 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.94 -0.648 . . . . 73.540000000000006 111.995 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.791 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 13.2 p-10 -120.88 56.73 1.0 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.687 0.756 . . . . 73.420000000000002 110.935 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -147.77 44.61 1.1 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.442 -0.799 . . . . 71.340000000000003 110.013 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.603 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 44.3 t -84.3 115.0 25.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 74.030000000000001 109.856 178.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -73.87 112.56 10.11 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.717 -0.674 . . . . 74.349999999999994 112.126 -173.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.532 ' HB ' ' HA3' ' A' ' 16' ' ' GLY . 47.1 t -94.14 110.69 23.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.059 -0.519 . . . . 74.219999999999999 110.046 175.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.449 ' HE1' ' HB2' ' A' ' 59' ' ' GLN . 3.0 p-80 -100.32 141.95 32.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.756 -0.656 . . . . 74.439999999999998 110.451 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.477 ' O ' HG23 ' A' ' 33' ' ' ILE . 38.2 p90 -71.5 -1.02 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.9 -0.591 . . . . 74.219999999999999 112.476 -173.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.3 p -84.14 -3.58 58.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.891 0.377 . . . . 70.409999999999997 111.271 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -124.98 8.12 8.04 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 116.321 -0.399 . . . . 61.140000000000001 111.734 -177.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.661 HD12 HG22 ' A' ' 63' ' ' VAL . 8.4 tp -91.55 137.41 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 70.519999999999996 111.089 -176.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -138.43 148.18 44.13 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.808 -0.812 . . . . 74.030000000000001 108.808 172.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.71 173.89 30.16 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.417 -0.896 . . . . 64.120000000000005 112.404 -176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -81.07 -46.2 15.35 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.326 -0.62 . . . . 74.540000000000006 109.326 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.52 30.76 0.47 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.76 -0.936 . . . . 72.549999999999997 110.76 176.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -136.97 168.51 19.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.287 -0.456 . . . . 74.540000000000006 109.981 -175.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.41 10.19 4.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.024 -0.732 . . . . 74.219999999999999 109.024 173.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 m -118.26 160.62 21.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.172 -0.922 . . . . 74.049999999999997 110.454 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -117.91 144.35 45.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.042 -0.526 . . . . 74.329999999999998 109.743 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -82.61 126.66 32.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.963 0.411 . . . . 75.150000000000006 110.221 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -71.47 118.88 14.84 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.419 -0.586 . . . . 74.310000000000002 109.419 178.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.79 -7.16 41.6 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.681 -0.771 . . . . 51.009999999999998 112.754 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -82.52 147.93 28.38 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.197 0.499 . . . . 74.310000000000002 110.274 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.437 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -93.1 127.38 38.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.967 -0.56 . . . . 73.329999999999998 109.769 176.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.433 ' CG2' ' HE1' ' A' ' 49' ' ' PHE . 2.4 m -146.17 164.03 9.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.88 0.371 . . . . 72.310000000000002 110.96 -177.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.58 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 7.9 m -103.87 135.62 45.06 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.667 -0.697 . . . . 72.239999999999995 110.138 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.723 ' CE2' HG21 ' A' ' 63' ' ' VAL . 27.8 m-85 -135.65 142.38 45.16 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.43 -0.581 . . . . 74.530000000000001 109.43 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.664 ' HA ' ' HA ' ' A' ' 1' ' ' MET . 27.3 t70 -87.04 103.86 15.77 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.901 -0.777 . . . . 75.349999999999994 108.901 173.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.67 138.76 18.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.769 -0.65 . . . . 72.129999999999995 111.727 -170.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.757 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 30.6 mt-10 -120.72 150.79 40.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.432 -0.803 . . . . 75.450000000000003 109.18 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -92.25 109.72 21.1 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.976 -0.75 . . . . 75.439999999999998 108.976 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.55 -171.87 45.26 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.639 -0.791 . . . . 44.32 112.722 -174.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -78.3 -22.46 48.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.025 0.44 . . . . 73.239999999999995 110.906 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 56' ' ' ARG . 11.3 mmt180 -108.31 -33.42 7.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 74.209999999999994 111.121 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.62 -170.85 43.93 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 111.258 -0.737 . . . . 75.409999999999997 111.258 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -65.86 119.51 6.54 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.799 2.333 . . . . 71.25 112.037 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.757 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 10.6 pt20 -106.63 136.23 46.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.972 0.415 . . . . 73.540000000000006 110.41 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.499 ' HB3' ' CD2' ' A' ' 49' ' ' PHE . . . -98.84 123.54 43.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 65.200000000000003 111.297 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.428 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . . . -126.83 163.96 22.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.013 -0.54 . . . . 72.239999999999995 109.789 176.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 52.71 88.96 0.03 OUTLIER 'General case' 0 C--O 1.239 0.52 0 O-C-N 123.619 0.574 . . . . 73.519999999999996 111.428 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.723 HG21 ' CE2' ' A' ' 49' ' ' PHE . 47.2 t -79.67 123.52 36.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.066 -0.516 . . . . 72.299999999999997 110.771 176.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.58 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 58.5 tt0 -122.89 125.87 46.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.585 -0.524 . . . . 75.129999999999995 109.585 175.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' HD2' HG13 ' A' ' 47' ' ' VAL . 27.7 tptp -74.05 126.05 29.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.864 0.364 . . . . 65.030000000000001 111.712 -175.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.253 1.273 0 CA-C-O 118.29 -0.862 . . . . 71.540000000000006 109.423 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.753 0.311 . . . . 64.540000000000006 110.414 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.617 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 69.0 mm-40 -91.46 108.95 20.25 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.646 -0.421 . . . . 75.319999999999993 110.491 -178.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 35.8 tt0 -115.59 127.62 55.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.32 -0.4 . . . . 72.200000000000003 110.37 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . -158.03 172.55 35.18 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.804 -0.713 . . . . 74.310000000000002 112.106 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.6 m -90.98 138.39 31.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.042 0.448 . . . . 71.519999999999996 110.936 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.71 123.41 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.828 -0.624 . . . . 71.109999999999999 110.338 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 13.8 tppt? -74.91 -57.08 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 72.319999999999993 110.065 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -174.95 142.35 0.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.372 -0.603 . . . . 75.230000000000004 109.372 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -102.37 97.1 7.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.895 0.379 . . . . 73.349999999999994 110.571 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -76.15 79.61 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.672 0.749 . . . . 72.120000000000005 111.197 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.02 -20.64 66.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.199 -0.909 . . . . 64.209999999999994 110.951 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -54.62 -43.85 72.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.165 -0.471 . . . . 74.540000000000006 110.324 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.91 -21.92 21.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 74.109999999999999 110.147 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.48 35.68 7.83 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.721 -0.672 . . . . 71.329999999999998 111.506 -177.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -144.18 -169.68 3.18 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.832 -0.433 . . . . 75.120000000000005 109.832 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.6 160.55 30.0 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.845 -0.693 . . . . 74.150000000000006 111.761 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.42 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 69.8 m-85 -111.37 133.91 53.34 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.749 -0.463 . . . . 71.049999999999997 109.749 178.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.2 mt -131.11 150.57 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.756 -0.656 . . . . 73.430000000000007 109.661 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.664 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 2.6 tt0 -98.99 144.91 27.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.943 0.401 . . . . 70.409999999999997 110.698 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 50.5 mtp180 -131.8 168.54 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.907 -0.588 . . . . 72.340000000000003 109.84 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.99 -27.56 68.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.714 -0.675 . . . . 74.230000000000004 110.372 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -96.72 13.23 29.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.738 -0.665 . . . . 54.43 111.236 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.25 148.07 5.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.493 -0.86 . . . . 74.5 112.506 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.664 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 17.0 p-10 -103.93 57.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.421 0.629 . . . . 74.310000000000002 111.141 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -131.93 32.35 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.708 -0.678 . . . . 72.129999999999995 110.514 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.1 t -87.03 124.83 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.252 -0.431 . . . . 74.430000000000007 110.911 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.21 113.79 25.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.107 -0.497 . . . . 71.420000000000002 110.666 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.7 p -91.73 143.78 10.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 C-N-CA 120.79 -0.364 . . . . 74.5 110.038 177.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.478 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 7.9 p80 -124.82 164.45 20.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.811 -0.631 . . . . 73.0 109.844 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.51 ' HA ' HD13 ' A' ' 33' ' ' ILE . 61.1 m-85 -59.86 -24.37 64.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.584 0.957 . . . . 75.140000000000001 113.584 -169.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.478 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.5 m -59.73 -32.72 70.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.943 0.401 . . . . 74.109999999999999 110.808 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.506 ' HB1' HG22 ' A' ' 63' ' ' VAL . . . -80.14 -19.85 46.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.519999999999996 110.852 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' A' ' 30' ' ' PHE . 1.7 mp -69.52 140.22 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.487 -0.779 . . . . 70.219999999999999 110.861 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.41 -164.41 1.94 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.961 -0.563 . . . . 72.219999999999999 110.155 177.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 36' ' ' ASP . . . -93.04 -127.46 4.48 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.663 -0.78 . . . . 74.439999999999998 114.278 -170.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 68.2 m-20 83.15 -72.5 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.469 1.108 . . . . 72.109999999999999 110.954 -178.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.61 -62.62 0.36 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.703 -0.76 . . . . 75.540000000000006 111.928 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -138.77 156.56 47.26 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.532 -0.544 . . . . 75.239999999999995 109.532 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' H ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -86.19 -8.78 57.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.613 0.721 . . . . 75.109999999999999 109.436 175.012 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 p -85.98 160.96 19.21 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.412 -0.813 . . . . 62.310000000000002 108.858 170.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.0 tp -105.99 128.34 53.76 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.584 -0.524 . . . . 71.329999999999998 109.584 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 15.6 m-20 -84.58 121.55 27.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.397 0.618 . . . . 70.040000000000006 111.897 -172.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.45 122.51 18.11 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.182 -0.917 . . . . 75.219999999999999 109.597 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.23 -9.41 45.98 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.327 -0.94 . . . . 74.099999999999994 113.394 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 25.7 pt20 -88.86 155.95 19.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.728 0.764 . . . . 74.209999999999994 110.183 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.48 120.03 40.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.646 -0.501 . . . . 55.350000000000001 109.646 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.0 m -128.65 148.22 33.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.251 0.548 . . . . 75.430000000000007 111.045 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.565 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 5.0 m -92.83 154.88 17.99 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.901 -1.148 . . . . 71.209999999999994 107.901 172.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -163.91 174.64 11.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 118.053 0.388 . . . . 75.430000000000007 110.871 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.508 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 24.3 t70 -95.38 137.24 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.572 -0.74 . . . . 73.519999999999996 109.569 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.617 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 7.2 p -95.9 126.25 48.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.204 0.526 . . . . 74.150000000000006 111.487 -175.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.976 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 35.5 mt-10 -108.05 117.72 34.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.909 -0.587 . . . . 53.109999999999999 109.609 174.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.38 108.29 8.07 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.281 -1.007 . . . . 75.299999999999997 108.281 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.36 -160.36 36.39 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.9 -0.666 . . . . 74.129999999999995 113.042 -171.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -68.67 -33.01 73.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.626 -0.287 . . . . 75.140000000000001 111.545 -175.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -148.58 16.86 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.774 -0.37 . . . . 73.319999999999993 111.911 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.71 177.26 46.39 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.203 -0.999 . . . . 44.200000000000003 112.353 -178.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -87.65 127.76 2.37 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.924 2.416 . . . . 73.25 112.872 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.976 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 12.9 pt20 -119.18 159.18 24.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.008 -0.542 . . . . 75.329999999999998 110.043 176.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.93 126.18 51.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.131 0.419 . . . . 71.019999999999996 112.131 -173.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.508 ' HB3' ' HB3' ' A' ' 50' ' ' ASP . . . -100.18 -178.96 3.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.43 -0.805 . . . . 71.030000000000001 109.355 173.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -23.96 126.57 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.282 1.216 . . . . 74.129999999999995 114.282 -168.349 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.506 HG22 ' HB1' ' A' ' 32' ' ' ALA . 95.4 t -95.8 138.65 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.716 -1.129 . . . . 72.230000000000004 111.734 -176.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.565 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 35.1 tt0 -110.38 139.32 45.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.422 -0.808 . . . . 71.439999999999998 109.06 173.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 147.18 26.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.008 0.432 . . . . 72.310000000000002 111.738 -172.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.383 -0.818 . . . . 55.549999999999997 109.767 177.418 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.877 0.37 . . . . 74.319999999999993 110.923 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.603 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 1.9 pm0 -83.59 96.03 8.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.477 0.656 . . . . 73.439999999999998 110.486 -173.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.562 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 33.1 tt0 -100.94 131.81 46.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.066 -0.97 . . . . 74.299999999999997 110.126 -177.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.5 168.29 31.54 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.518 -0.849 . . . . 72.219999999999999 112.227 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 49.4 m -90.41 128.73 36.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.726 0.298 . . . . 74.510000000000005 110.461 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.1 t -73.07 104.88 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.475 -0.565 . . . . 73.450000000000003 109.475 176.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -70.7 -38.27 73.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.93 0.395 . . . . 74.510000000000005 110.205 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.496 ' CZ3' ' HB3' ' A' ' 10' ' ' ASN . 9.3 t90 -156.81 151.4 25.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.13 -0.486 . . . . 64.230000000000004 109.871 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -130.63 98.06 4.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 74.329999999999998 110.332 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.617 HD21 ' HG3' ' A' ' 13' ' ' LYS . 4.6 p-10 -82.81 76.66 9.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.682 0.753 . . . . 73.219999999999999 110.358 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.03 -27.41 68.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.042 -0.981 . . . . 73.310000000000002 111.478 -176.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.99 -36.66 82.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.964 0.411 . . . . 74.120000000000005 110.147 176.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.617 ' HG3' HD21 ' A' ' 10' ' ' ASN . 10.1 mmpt? -82.92 -24.24 33.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.412 -0.588 . . . . 74.219999999999999 109.412 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.24 26.39 16.16 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.265 -0.88 . . . . 63.439999999999998 111.546 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -139.31 -176.32 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.063 0.459 . . . . 74.040000000000006 110.941 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -154.21 163.0 30.87 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.869 -0.892 . . . . 64.409999999999997 110.869 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -122.01 132.86 54.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.124 0.462 . . . . 72.120000000000005 110.384 177.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.484 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 46.5 mt -121.88 144.77 30.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.806 -0.634 . . . . 65.049999999999997 109.991 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.831 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 15.8 pt-20 -100.27 121.41 41.43 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.033 -0.53 . . . . 73.109999999999999 109.636 177.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -124.49 -175.16 3.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.892 -0.595 . . . . 74.340000000000003 111.348 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -67.88 -27.12 66.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.888 -1.051 . . . . 63.439999999999998 111.589 -174.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -89.11 -21.62 23.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.072 0.463 . . . . 74.430000000000007 110.766 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.98 168.6 21.26 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.918 -0.658 . . . . 70.109999999999999 111.816 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.831 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.5 p-10 -105.62 56.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.716 0.77 . . . . 75.319999999999993 110.734 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -135.48 32.46 3.07 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.383 -0.826 . . . . 62.299999999999997 110.368 -178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.484 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 46.5 t -84.67 112.0 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 110.098 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -76.18 117.19 17.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.763 -0.653 . . . . 74.409999999999997 112.012 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -89.99 135.55 26.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.99 -0.55 . . . . 72.010000000000005 109.896 175.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.416 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 67.7 m80 -102.92 131.88 49.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.877 -0.416 . . . . 71.109999999999999 109.877 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.44 ' HA ' HD13 ' A' ' 33' ' ' ILE . 19.6 p90 -59.38 -27.61 66.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.185 0.517 . . . . 73.409999999999997 110.413 177.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 t -74.08 -5.26 40.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.794 -0.639 . . . . 62.310000000000002 110.927 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.422 ' HB2' ' N ' ' A' ' 62' ' ' ASN . . . -97.68 -18.93 18.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.545 -0.298 . . . . 74.140000000000001 111.276 -178.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.474 HG13 HG22 ' A' ' 63' ' ' VAL . 2.2 mp -76.65 123.83 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 74.049999999999997 110.698 -177.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -75.41 119.16 19.12 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.968 -0.753 . . . . 73.209999999999994 108.968 171.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.54 -135.77 4.25 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.921 -0.657 . . . . 72.120000000000005 112.932 -172.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 70.65 -75.79 0.07 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.455 0.702 . . . . 70.319999999999993 110.402 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.81 -52.98 6.65 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.119 -0.563 . . . . 75.319999999999993 111.969 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -130.32 118.95 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.833 0.349 . . . . 71.329999999999998 110.668 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -96.55 10.61 37.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.062 -0.517 . . . . 75.409999999999997 110.949 177.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.0 t -153.57 154.86 35.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.047 -0.524 . . . . 65.230000000000004 110.016 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -107.68 134.17 51.04 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.613 -0.514 . . . . 62.350000000000001 109.613 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.438 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 6.6 m-20 -83.2 122.89 29.0 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.227 -0.442 . . . . 71.310000000000002 110.184 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.8 136.71 58.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.435 0.636 . . . . 75.530000000000001 110.533 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.31 -21.41 33.18 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.399 -0.819 . . . . 55.310000000000002 112.556 -177.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 22.4 pt20 -88.55 154.94 19.93 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 117.374 0.587 . . . . 73.409999999999997 110.798 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -96.04 132.87 40.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.892 -0.594 . . . . 61.100000000000001 110.158 177.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.0 m -137.68 159.82 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.463 -0.335 . . . . 73.420000000000002 110.497 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.575 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 3.8 m -105.41 146.08 29.95 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.432 -0.349 . . . . 75.129999999999995 110.381 -177.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CE2' HG21 ' A' ' 63' ' ' VAL . 29.3 m-85 -136.98 171.51 14.39 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 121.127 0.489 . . . . 74.140000000000001 111.587 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -102.82 133.44 47.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.699 -1.137 . . . . 75.439999999999998 108.706 166.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.603 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 8.0 p -90.59 142.58 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.211 0.529 . . . . 75.129999999999995 112.337 -172.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HG3' ' HG3' ' A' ' 59' ' ' GLN . 5.4 pt-20 -145.32 151.47 38.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.775 -0.648 . . . . 74.019999999999996 110.169 173.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -95.2 124.86 39.46 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.631 -0.507 . . . . 74.239999999999995 109.631 173.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.07 -167.76 28.09 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.453 -0.88 . . . . 64.450000000000003 112.623 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -82.05 3.75 25.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.142 0.496 . . . . 73.450000000000003 110.802 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.551 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 4.1 mmp_? -122.44 -56.41 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.926 -0.579 . . . . 65.310000000000002 110.653 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.63 -157.24 13.12 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.817 -0.706 . . . . 72.420000000000002 111.753 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -67.39 115.38 3.66 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.657 2.238 . . . . 73.129999999999995 111.539 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.45 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 12.5 pt20 -128.42 159.45 35.35 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.28 -0.418 . . . . 75.129999999999995 110.06 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.84 143.02 47.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.187 0.518 . . . . 70.239999999999995 111.95 -173.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.62 166.8 23.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.395 -0.82 . . . . 74.329999999999998 109.468 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.422 ' N ' ' HB2' ' A' ' 32' ' ' ALA . 19.5 m-80 59.04 99.68 0.02 OUTLIER 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.106 0.479 . . . . 72.349999999999994 110.741 -176.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.696 HG21 ' CE2' ' A' ' 49' ' ' PHE . 47.9 t -89.97 132.8 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.669 -0.696 . . . . 72.140000000000001 111.451 -178.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.575 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 53.7 tt0 -121.36 124.55 44.83 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.598 -0.89 . . . . 73.219999999999999 108.598 171.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -75.8 127.83 33.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.18 0.514 . . . . 74.129999999999995 111.884 -173.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.592 -0.731 . . . . 75.120000000000005 109.107 172.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.642 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 51.9 mm-40 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.828 0.823 . . . . 52.14 110.184 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -97.57 142.65 29.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.836 -1.074 . . . . 74.53 109.187 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.15 176.41 45.19 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.211 -0.995 . . . . 62.44 112.501 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.6 m -99.57 134.83 41.88 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.147 -0.316 . . . . 62.31 110.147 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.16 114.86 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.52 -0.548 . . . . 65.32 109.52 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -70.37 -59.22 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 51.53 109.994 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.5 t90 -172.59 158.35 4.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 74.54 109.655 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.609 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 11.4 p90 -123.82 111.89 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.322 0.582 . . . . 73.22 110.949 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -79.21 87.72 4.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.935 0.874 . . . . 55.24 109.829 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.43 -14.32 49.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.014 -0.993 . . . . 41.33 111.68 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -57.34 -45.38 84.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.877 0.37 . . . . 75.24 110.058 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -93.98 -39.56 10.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.04 0.448 . . . . 71.51 109.825 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.39 29.3 4.54 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.639 -0.709 . . . . 45.52 111.49 -176.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -121.36 143.89 48.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.794 0.33 . . . . 74.12 110.423 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.609 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -113.23 146.57 18.47 Favored Glycine 0 N--CA 1.44 -1.074 0 C-N-CA 120.396 -0.907 . . . . 43.32 111.253 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.38 133.35 53.75 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.01 0.433 . . . . 73.52 109.906 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.23 144.86 28.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.379 -0.828 . . . . 60.34 109.134 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 29.0 tt0 -100.39 127.09 46.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.231 0.539 . . . . 64.44 111.264 -172.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.61 ' NH2' ' HB3' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -125.04 161.31 27.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.364 -0.835 . . . . 74.33 109.259 176.578 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.531 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 26.1 tt0 -62.42 -45.33 93.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.089 0.471 . . . . 71.52 109.826 174.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.07 -21.79 60.71 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.72 -0.673 . . . . 43.02 111.804 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.63 119.91 0.75 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.326 -0.94 . . . . 31.4 112.392 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.526 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 15.5 p-10 -98.88 55.47 1.03 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.558 0.695 . . . . 71.44 110.537 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -164.17 44.29 0.1 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.37 -0.832 . . . . 74.34 110.299 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.71 118.77 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.747 -0.661 . . . . 75.41 110.012 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -78.02 103.58 8.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.631 -0.713 . . . . 73.15 111.114 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 11.4 p -97.66 134.78 34.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.537 -0.542 . . . . 73.34 109.537 175.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -136.85 151.66 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.343 -0.39 . . . . 72.22 110.433 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -74.38 9.92 1.51 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.991 0.737 . . . . 71.33 112.991 -167.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 m -82.91 -7.84 59.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.116 0.484 . . . . 54.35 110.167 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -129.33 19.57 5.81 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.868 -0.606 . . . . 74.35 110.903 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 tp -80.57 151.59 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 63.54 109.998 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -84.22 -162.57 0.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.908 0.385 . . . . 62.11 111.098 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.76 -134.79 4.6 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.157 -0.545 . . . . 74.14 111.94 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 62.22 16.64 8.56 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.942 0.497 . . . . 64.13 111.656 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.22 -18.37 57.5 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.656 -0.783 . . . . 52.02 112.104 -178.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -81.38 78.9 8.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.333 0.587 . . . . 72.13 110.428 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 5.76 11.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.287 -0.869 . . . . 73.25 109.431 176.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.7 m -107.4 124.22 49.52 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.812 -1.085 . . . . 63.44 110.429 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.417 ' HA ' ' OE1' ' A' ' 45' ' ' GLN . 94.4 mt -107.32 127.18 53.33 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.936 -0.764 . . . . 73.14 108.936 173.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -124.4 144.16 50.2 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.084 0.468 . . . . 72.24 110.852 -174.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.34 124.21 20.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.326 -0.852 . . . . 71.31 111.183 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.35 -3.53 56.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.598 -0.81 . . . . 33.34 113.511 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.417 ' OE1' ' HA ' ' A' ' 41' ' ' LEU . 1.3 pt20 -90.79 155.75 18.56 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 117.773 0.787 . . . . 72.45 110.597 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.61 137.51 39.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.168 -0.469 . . . . 64.31 111.028 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.71 164.2 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 53.22 110.988 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.7 m -128.79 134.29 48.33 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.916 -0.772 . . . . 74.35 108.916 176.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.642 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 22.2 p90 -161.31 -175.63 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.496 -0.482 . . . . 74.11 111.42 -173.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -111.33 153.23 26.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.41 -0.814 . . . . 64.42 109.418 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.4 t -127.79 123.83 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.019 0.438 . . . . 72.33 111.025 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.89 113.56 25.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.695 -0.684 . . . . 52.04 109.503 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 42.6 mt-10 -80.13 126.02 30.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.08 -0.509 . . . . 74.35 110.314 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -88.79 -147.36 14.59 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.775 -0.726 . . . . 75.24 111.389 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -74.74 88.17 2.24 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.026 -0.731 . . . . 53.24 109.026 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 52.57 81.87 0.08 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.391 -0.822 . . . . 65.44 110.747 -171.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.68 101.06 0.16 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.804 -0.712 . . . . 44.33 112.171 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 3.9 Cg_exo -80.0 111.08 2.65 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.047 2.498 . . . . 75.24 111.832 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -112.04 150.69 30.29 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.52 -0.472 . . . . 72.33 110.34 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 28' ' ' VAL . . . -86.7 134.93 33.55 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.609 -0.723 . . . . 62.22 111.467 -177.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -135.2 145.6 47.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.289 -0.869 . . . . 73.51 108.941 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.93 83.91 0.12 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.525 -0.546 . . . . 71.34 109.525 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.551 ' HA ' ' HB3' ' A' ' 49' ' ' PHE . 47.7 t -100.13 124.8 53.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 120.468 -0.493 . . . . 62.51 111.076 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -122.08 150.01 42.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.749 -0.659 . . . . 74.42 109.601 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -84.82 136.52 33.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.762 0.315 . . . . 45.43 110.703 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.279 -0.867 . . . . 72.44 109.791 174.626 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.833 ' HG2' ' HB ' ' A' ' 51' ' ' VAL . 1.5 mp0 . . . . . 0 N--CA 1.45 -0.471 0 CA-C-O 120.859 0.362 . . . . 75.43 111.183 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -111.55 129.14 56.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.902 -0.407 . . . . 75.24 109.902 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 20' ' ' ARG . . . -152.74 176.94 30.71 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.578 -0.82 . . . . 71.14 112.247 -178.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.5 m -95.71 131.1 42.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.801 0.334 . . . . 75.14 110.474 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.2 t -68.88 110.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.084 -0.507 . . . . 75.3 110.489 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.62 -55.53 22.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.895 -0.593 . . . . 75.41 109.509 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.642 ' HD1' ' HB3' ' A' ' 43' ' ' GLU . 0.6 OUTLIER 176.99 168.0 0.54 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.263 -0.88 . . . . 72.12 109.087 173.816 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.657 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 4.7 p90 -123.41 96.42 4.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.504 0.669 . . . . 72.14 109.631 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.463 ' HA ' ' CZ3' ' A' ' 8' ' ' TRP . 2.0 p30 -68.57 84.06 0.28 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.521 0.677 . . . . 72.5 111.396 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.99 -22.56 65.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.375 -0.829 . . . . 70.53 111.665 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -58.05 -39.58 78.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.413 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HB2' ' OD1' ' A' ' 10' ' ' ASN . 29.6 mtpp -101.42 -10.64 20.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.223 0.535 . . . . 73.11 110.041 176.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.25 43.54 20.43 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.539 -0.755 . . . . 71.13 112.58 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -140.27 -178.73 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.217 -0.29 . . . . 73.05 110.217 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.657 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -146.98 162.15 28.53 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.62 -0.8 . . . . 73.5 112.194 175.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -136.58 137.86 40.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.766 0.317 . . . . 74.45 110.745 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.8 mt -127.17 147.73 32.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.863 -0.608 . . . . 72.14 109.655 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -119.77 132.3 55.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 64.14 110.59 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.576 HH11 ' HG3' ' A' ' 2' ' ' GLU . 71.0 mtp180 -119.77 160.44 22.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.233 0.539 . . . . 73.33 111.113 177.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.18 -45.43 84.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.059 -0.973 . . . . 73.31 109.781 171.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -96.16 19.01 12.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.608 -0.724 . . . . 51.35 111.039 -176.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . 179.33 106.78 0.21 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 119.775 -1.203 . . . . 53.31 112.97 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -91.13 155.5 18.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.085 -0.339 . . . . 73.52 110.085 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 t70 63.45 72.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 124.034 0.834 . . . . 73.31 111.508 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -107.29 118.53 55.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.721 -0.672 . . . . 63.42 109.622 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' A' ' 59' ' ' GLN . 28.6 t80 -84.23 140.86 31.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.201 -0.454 . . . . 65.21 110.286 -175.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.0 t -120.26 132.54 69.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.055 0.455 . . . . 71.04 111.422 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -111.16 145.72 38.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 74.11 109.904 173.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.538 ' O ' HG22 ' A' ' 33' ' ' ILE . 82.4 m-85 -71.53 -10.11 59.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.381 0.61 . . . . 74.32 110.072 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -75.73 -4.65 41.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.487 -0.779 . . . . 55.13 110.919 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -121.67 -3.05 9.29 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.78 0.324 . . . . 41.35 111.871 -178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 30' ' ' PHE . 11.0 tp -86.62 148.92 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.674 -0.491 . . . . 60.44 109.674 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -95.07 156.69 16.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.427 -0.351 . . . . 72.23 110.268 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.495 ' HA2' ' HB3' ' A' ' 39' ' ' LYS . . . -108.56 -141.3 9.5 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.72 -0.752 . . . . 72.45 111.267 176.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 4.6 m-20 73.46 -47.41 0.66 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.544 0.738 . . . . 74.41 111.706 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.37 -82.99 0.18 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.035 -0.602 . . . . 53.12 112.1 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -93.52 92.04 7.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.69 0.281 . . . . 74.14 110.892 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.495 ' HB3' ' HA2' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -103.44 -7.67 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.038 -0.528 . . . . 74.41 110.551 177.813 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -115.11 136.37 53.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.805 -0.634 . . . . 74.42 109.709 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 HG11 ' A' ' 47' ' ' VAL . 92.6 mt -106.88 129.48 54.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.45 -0.341 . . . . 55.31 110.505 -177.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.585 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 16.0 m-20 -85.36 137.44 32.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.269 0.557 . . . . 71.45 110.986 -177.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.642 ' HB3' ' HD1' ' A' ' 8' ' ' TRP . 6.5 pt-20 -60.67 126.99 29.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.367 -0.833 . . . . 70.42 111.442 -179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.51 -10.48 66.94 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.833 -0.698 . . . . 54.5 113.333 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.585 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 14.3 pt20 -86.75 157.37 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.508 0.654 . . . . 71.23 110.266 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -96.21 141.87 29.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.494 -0.321 . . . . 73.15 110.504 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.46 HG11 HD22 ' A' ' 41' ' ' LEU . 23.6 m -134.55 155.96 39.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.311 -0.404 . . . . 52.13 110.247 176.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 m -107.78 134.72 50.34 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.549 -0.538 . . . . 71.04 109.549 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.505 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 42.9 p90 -150.47 177.78 9.68 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.871 0.367 . . . . 75.22 111.058 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -106.02 140.51 38.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.54 -0.754 . . . . 75.42 110.005 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.833 ' HB ' ' HG2' ' A' ' 2' ' ' GLU . 10.6 p -81.69 133.1 29.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.176 0.513 . . . . 63.45 111.549 -176.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -132.89 138.86 47.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.872 -0.604 . . . . 70.14 109.484 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -85.35 125.29 32.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.847 0.356 . . . . 74.21 110.112 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.82 -148.41 19.15 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.789 -0.641 . . . . 61.43 112.765 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -64.74 -67.75 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.935 0.398 . . . . 73.03 111.753 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -121.72 13.62 10.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.311 -0.404 . . . . 74.5 111.025 -177.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.67 169.93 42.73 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.468 -0.873 . . . . 33.12 112.307 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.95 132.7 13.1 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.745 2.296 . . . . 75.43 112.134 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' A' ' 27' ' ' PHE . 13.9 pt20 -119.02 162.31 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.107 -0.497 . . . . 63.24 110.866 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.07 120.48 31.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.684 -0.689 . . . . 61.22 111.101 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -117.79 138.28 52.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.666 -0.494 . . . . 65.44 109.666 175.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 59.86 88.57 0.07 Allowed 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.875 -0.417 . . . . 65.44 109.875 -174.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.0 t -100.91 111.85 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 50.43 111.224 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -97.41 142.91 28.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.466 -0.788 . . . . 72.11 109.954 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -75.63 133.83 40.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.157 0.503 . . . . 61.51 111.236 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.776 -1.107 . . . . 52.14 108.811 174.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.478 ' HG3' ' NE ' ' A' ' 20' ' ' ARG . 3.4 mm-40 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.891 0.377 . . . . 73.04 111.025 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.37 116.77 32.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.003 -1.11 . . . . 61.25 108.003 170.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.41 177.38 23.86 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.318 -0.944 . . . . 51.22 112.492 -175.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 35.9 m -110.99 137.41 48.65 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.672 0.272 . . . . 53.33 110.395 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.41 106.57 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.488 -0.56 . . . . 62.15 109.488 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HG3' ' CE3' ' A' ' 8' ' ' TRP . 4.9 tppp? -64.38 -50.63 66.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.921 -0.581 . . . . 75.43 110.349 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.426 ' CE3' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -158.79 173.94 15.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 71.51 110.782 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.663 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 5.2 p90 -142.31 93.67 2.56 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.923 -0.769 . . . . 75.52 108.923 174.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.691 HD21 ' HB2' ' A' ' 15' ' ' PHE . 5.8 p-10 -71.81 83.85 0.92 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.498 0.666 . . . . 75.34 111.438 -172.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.84 -16.79 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.638 -0.71 . . . . 74.31 110.282 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -54.35 -40.63 68.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.891 -1.049 . . . . 65.24 109.842 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -123.21 -1.42 8.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.432 -0.349 . . . . 52.31 111.414 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.54 57.33 3.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.068 -0.587 . . . . 44.5 113.197 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.691 ' HB2' HD21 ' A' ' 10' ' ' ASN . 92.2 m-85 -147.7 -178.74 6.42 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.526 -0.546 . . . . 74.11 109.526 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.663 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -138.04 167.12 25.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.45 -0.881 . . . . 62.14 112.384 174.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.494 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 59.7 m-85 -134.96 135.24 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.66 0.23 . . . . 75.0 110.521 177.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.512 HG13 ' CG2' ' A' ' 28' ' ' VAL . 72.0 mt -120.2 146.99 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.792 -0.448 . . . . 61.41 109.792 174.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 11.5 pt-20 -101.8 139.15 37.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.026 0.441 . . . . 65.13 111.006 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.478 ' NE ' ' HG3' ' A' ' 2' ' ' GLU . 60.7 mtp180 -126.36 160.3 30.81 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.437 -0.579 . . . . 65.23 109.437 174.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.33 -20.65 64.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.941 0.4 . . . . 74.24 110.776 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -103.79 19.59 19.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 64.24 110.157 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.86 120.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.991 -0.623 . . . . 51.33 111.81 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.587 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 10.9 p-10 -99.41 56.63 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.603 0.716 . . . . 71.43 111.245 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -149.93 80.52 1.38 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.534 -0.757 . . . . 72.53 109.911 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 60.6 t -118.95 123.27 71.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.642 -0.708 . . . . 74.31 110.226 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -76.09 116.3 16.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.09 0.471 . . . . 71.41 111.42 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.513 ' HB ' ' HA3' ' A' ' 16' ' ' GLY . 47.9 t -86.11 128.17 39.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.019 -0.537 . . . . 73.02 110.069 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -102.77 140.0 37.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.638 -0.71 . . . . 62.15 109.755 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -74.1 -16.57 61.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.59 -0.277 . . . . 74.52 111.644 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.2 t -76.2 -9.21 58.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.414 0.626 . . . . 63.42 109.79 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HB1' ' H ' ' A' ' 62' ' ' ASN . . . -113.29 20.18 16.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.67 -0.696 . . . . 73.42 110.279 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 tp -59.21 152.75 4.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.576 -0.738 . . . . 72.33 111.062 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 6.0 pt20 -59.14 167.39 1.74 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.314 0.578 . . . . 74.51 111.684 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.45 174.37 8.0 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.458 -0.792 . . . . 31.41 112.614 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.0 147.88 6.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.453 0.645 . . . . 64.21 112.26 -175.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.86 -51.05 0.87 Allowed Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.233 -0.894 . . . . 74.05 111.13 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -147.68 113.89 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.324 -0.251 . . . . 71.44 110.324 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' H ' ' HD3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -96.11 10.6 37.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.497 0.665 . . . . 73.02 109.922 176.241 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m -121.46 148.96 43.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.232 -0.895 . . . . 72.3 109.586 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.9 mt -107.54 173.81 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.74 0.305 . . . . 71.02 110.739 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.494 ' N ' HE21 ' A' ' 45' ' ' GLN . 12.9 m-20 -146.77 136.57 23.19 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.11 -0.496 . . . . 62.53 110.15 -173.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.05 112.17 2.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.905 -0.588 . . . . 71.23 110.413 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.09 6.51 36.77 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.399 -0.905 . . . . 71.21 113.904 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.494 HE21 ' N ' ' A' ' 42' ' ' ASP . 27.8 pt20 -101.91 136.42 41.77 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.557 1.178 . . . . 73.13 110.754 174.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -87.67 150.1 23.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.696 -0.684 . . . . 62.22 112.304 -172.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -147.48 174.84 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.391 -0.822 . . . . 72.22 110.257 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.2 m -124.12 133.21 53.65 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.896 -1.15 . . . . 64.41 107.896 170.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE1' HG21 ' A' ' 18' ' ' ILE . 28.2 p90 -149.24 165.29 32.33 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.437 -0.505 . . . . 74.34 111.477 -169.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -99.51 138.77 36.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.851 -0.613 . . . . 73.42 109.386 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.16 115.56 48.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.371 0.605 . . . . 74.14 110.401 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -114.83 122.83 47.56 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.986 -0.552 . . . . 71.04 110.142 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.608 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 45.0 mt-10 -65.88 113.59 4.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 73.51 110.228 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -99.5 -148.31 22.82 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.737 -0.744 . . . . 65.21 113.345 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.449 ' H ' ' CD ' ' A' ' 55' ' ' GLN . 0.9 OUTLIER -47.4 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.798 0.839 . . . . 74.44 112.445 -175.325 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -114.24 -12.13 12.51 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.0 -0.28 . . . . 62.12 111.333 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.39 159.21 27.97 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.405 -0.903 . . . . 71.13 112.002 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.608 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 41.9 Cg_endo -69.32 132.65 24.49 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.411 2.074 . . . . 75.11 111.253 176.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -113.37 145.3 41.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.057 0.456 . . . . 74.1 110.768 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.13 115.58 24.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.459 -0.792 . . . . 75.32 110.411 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.07 138.71 52.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.839 -0.619 . . . . 73.4 109.4 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.402 ' H ' ' HB1' ' A' ' 32' ' ' ALA . 55.7 m-20 56.87 88.6 0.05 Allowed 'General case' 0 CA--C 1.513 -0.477 0 O-C-N 123.484 0.49 . . . . 73.51 109.915 -171.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 34' ' ' GLN . 58.8 t -104.34 106.83 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 C-N-CA 120.364 -0.534 . . . . 71.42 110.076 177.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -93.91 140.14 30.05 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.499 -0.556 . . . . 72.32 109.499 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -78.66 131.22 36.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.989 0.423 . . . . 74.13 111.414 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.795 -0.622 . . . . 74.54 109.673 176.894 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.494 ' OE1' HG12 ' A' ' 51' ' ' VAL . 4.0 mp0 . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 109.437 -0.579 . . . . 73.01 109.437 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 29.9 tt0 -100.37 124.74 46.24 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.547 -0.461 . . . . 72.33 109.813 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.57 168.61 23.8 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 121.009 -0.615 . . . . 44.41 111.758 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.2 m -95.89 129.09 43.24 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.86 0.362 . . . . 44.43 110.737 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.405 ' HA ' HG12 ' A' ' 18' ' ' ILE . 58.9 t -64.05 111.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.003 -0.544 . . . . 72.55 109.738 176.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HE2' ' HB3' ' A' ' 19' ' ' GLU . 11.3 tppt? -67.18 -56.84 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.34 -0.615 . . . . 65.53 109.34 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.575 ' HA ' ' HB3' ' A' ' 43' ' ' GLU . 30.3 t90 -178.28 141.06 0.23 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.888 -1.051 . . . . 61.22 109.224 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.468 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 7.1 p90 -83.29 94.24 7.88 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.425 -0.583 . . . . 72.54 109.425 176.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.56 87.24 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.543 0.687 . . . . 72.11 111.774 -175.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.64 -18.97 65.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.293 -0.867 . . . . 74.21 110.206 176.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.72 -41.17 70.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.245 -0.889 . . . . 72.24 109.738 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -94.57 -30.69 14.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.369 -0.832 . . . . 72.21 109.708 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.62 25.56 8.08 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.79 -0.641 . . . . 63.51 112.48 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -143.59 -168.81 2.93 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.113 -0.329 . . . . 62.41 110.113 -174.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -112.9 155.37 16.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.748 -0.739 . . . . 62.21 111.707 177.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.776 ' CZ ' ' HA ' ' A' ' 25' ' ' ASP . 39.8 t80 -131.16 133.17 45.3 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.468 -0.567 . . . . 72.51 109.468 178.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.426 ' HA ' ' H ' ' A' ' 7' ' ' LYS . 54.3 mt -135.85 148.44 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.598 -0.273 . . . . 74.03 110.459 -175.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 10.0 pt-20 -101.53 128.26 47.85 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.402 0.62 . . . . 74.12 110.743 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HD3' ' HB3' ' A' ' 2' ' ' GLU . 3.9 tpm_? -118.44 159.35 23.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.588 -0.733 . . . . 72.01 109.027 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.73 -33.23 74.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.116 0.484 . . . . 45.32 111.006 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -15.56 59.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.927 -0.579 . . . . 65.45 110.263 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.77 128.29 0.96 Allowed Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.176 -0.77 . . . . 61.33 111.176 -176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.587 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 6.8 p-10 -96.6 56.87 1.56 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.612 0.72 . . . . 62.33 110.936 -177.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.776 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 4.8 p-10 -150.21 39.33 0.75 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.039 -0.982 . . . . 75.55 110.114 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -86.84 119.41 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.594 -0.73 . . . . 72.15 110.56 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -88.56 122.86 32.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 75.11 110.815 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.3 t -92.05 127.74 44.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.538 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -90.19 147.46 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.251 -0.431 . . . . 62.41 110.243 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.44 ' O ' HG22 ' A' ' 33' ' ' ILE . 55.9 t80 -71.23 -19.45 62.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.23 0.538 . . . . 74.35 110.252 -175.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -80.32 -16.52 54.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.1 -0.5 . . . . 73.3 110.578 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.418 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -100.21 -16.96 17.58 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.012 0.375 . . . . 73.15 112.012 -174.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 30' ' ' PHE . 10.1 tp -73.51 145.27 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 110.01 -0.366 . . . . 64.0 110.01 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.603 ' OE1' ' HA ' ' A' ' 64' ' ' GLN . 8.8 pt20 -94.25 152.73 18.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.72 0.295 . . . . 72.44 110.538 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.64 89.02 0.84 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.408 -0.901 . . . . 61.34 111.243 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -83.22 -16.74 45.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.723 0.773 . . . . 73.1 110.109 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.02 -39.12 1.21 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 109.677 -1.369 . . . . 73.12 109.677 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -123.09 151.89 41.6 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.17 -1.048 . . . . 74.33 108.17 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -86.85 26.27 1.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.244 0.545 . . . . 73.11 111.663 -175.721 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.7 m -152.56 158.43 42.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.531 -0.544 . . . . 61.01 109.531 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.49 HD13 HG11 ' A' ' 47' ' ' VAL . 97.4 mt -107.71 173.74 6.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.716 0.293 . . . . 65.41 110.719 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.77 123.11 35.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 70.51 109.989 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.575 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -67.95 118.28 10.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.263 0.554 . . . . 63.23 110.246 178.114 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.12 -7.55 23.24 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.771 -0.65 . . . . 62.3 112.737 -176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -96.39 159.09 15.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.16 0.48 . . . . 75.14 110.294 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -97.55 136.04 38.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.591 0.234 . . . . 73.32 110.612 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.49 HG11 HD13 ' A' ' 41' ' ' LEU . 31.2 m -136.52 164.88 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.419 -0.355 . . . . 70.03 110.323 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.507 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 6.8 m -108.02 145.57 33.76 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.342 -0.614 . . . . 74.42 109.342 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.635 ' HE2' ' HB ' ' A' ' 51' ' ' VAL . 44.8 p90 -160.73 171.17 19.33 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.615 0.245 . . . . 73.24 110.771 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -108.26 109.53 20.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.199 -0.455 . . . . 71.41 109.845 170.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.635 ' HB ' ' HE2' ' A' ' 49' ' ' PHE . 7.3 p -84.57 113.13 22.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.543 0.687 . . . . 54.01 111.085 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -111.64 131.4 55.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 74.01 110.255 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 37.0 mt-10 -80.39 112.0 17.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.736 -0.468 . . . . 73.13 109.736 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.22 -148.48 21.73 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.608 -0.724 . . . . 62.44 113.478 -171.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -58.13 -37.16 74.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.431 -0.385 . . . . 73.22 111.63 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -122.51 -63.05 1.31 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.36 -0.382 . . . . 72.42 111.208 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.0 175.41 17.24 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.265 -0.969 . . . . 63.33 113.088 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.542 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 17.8 Cg_exo -66.99 128.58 18.96 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.462 2.775 . . . . 75.51 112.306 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -126.17 144.34 50.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.814 -0.63 . . . . 71.41 110.619 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.74 118.14 24.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.846 -0.616 . . . . 41.23 111.135 -176.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.418 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -120.79 147.97 44.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.795 -0.638 . . . . 64.44 109.478 175.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 10.9 m-80 59.52 89.26 0.06 Allowed 'General case' 0 C--O 1.238 0.478 0 O-C-N 123.41 0.444 . . . . 74.13 110.16 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.0 t -103.14 136.29 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 64.11 110.993 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.603 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 25.2 tt0 -127.02 130.31 49.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.72 -0.673 . . . . 74.14 109.85 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -70.9 138.16 49.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.308 . . . . 64.43 110.407 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.546 -0.74 . . . . 61.33 110.227 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.739 ' HG3' HG23 ' A' ' 51' ' ' VAL . 2.4 mm-40 . . . . . 0 C--O 1.234 0.283 0 CA-C-O 120.9 0.381 . . . . 74.12 110.394 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -146.39 148.46 32.36 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.928 -0.768 . . . . 71.51 108.928 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.98 169.68 38.98 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.27 -0.967 . . . . 72.51 112.703 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 4.7 m -102.03 130.33 48.56 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.294 -0.261 . . . . 61.33 110.294 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.2 111.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.552 -0.536 . . . . 61.34 109.552 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -85.05 -41.67 15.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.296 -0.411 . . . . 54.23 111.116 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -149.99 149.21 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.977 -0.289 . . . . 65.02 110.349 -173.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -131.96 93.89 3.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.916 0.388 . . . . 74.33 110.564 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.46 ' OD1' ' HB2' ' A' ' 15' ' ' PHE . 2.2 p30 -81.39 82.39 7.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.949 0.881 . . . . 71.1 110.468 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.14 -27.26 67.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 71.34 112.184 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -4.37 48.84 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.843 -0.343 . . . . 73.52 111.636 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -124.36 -5.78 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 44.25 110.651 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.82 49.59 13.36 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.992 -0.549 . . . . 44.32 113.905 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.46 ' HB2' ' OD1' ' A' ' 10' ' ' ASN . 66.1 m-85 -144.84 148.19 33.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.182 -0.303 . . . . 72.21 110.182 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -112.48 139.67 15.79 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.326 -0.94 . . . . 43.43 111.114 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 25' ' ' ASP . 71.3 t80 -112.13 133.14 54.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.005 0.431 . . . . 75.52 110.108 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.458 HG21 ' CE1' ' A' ' 49' ' ' PHE . 57.7 mt -126.44 144.36 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.922 -0.581 . . . . 72.44 110.788 -175.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.596 ' HG3' ' CB ' ' A' ' 24' ' ' ASP . 34.1 tt0 -111.47 130.52 55.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.702 -0.681 . . . . 75.41 110.336 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -118.61 166.78 12.31 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.088 -0.338 . . . . 70.12 110.088 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.67 -36.89 84.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.349 0.595 . . . . 63.01 110.588 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -102.71 20.48 17.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.782 -0.644 . . . . 62.14 110.741 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.35 104.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.356 -0.926 . . . . 72.24 112.618 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.596 ' CB ' ' HG3' ' A' ' 19' ' ' GLU . 11.6 p-10 -91.67 57.77 3.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.427 0.632 . . . . 62.2 110.804 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 37.9 t70 -161.93 78.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 71.02 109.717 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 46.7 t -130.19 139.62 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 71.41 109.908 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 59' ' ' GLN . 98.1 m-85 -114.92 123.28 48.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.888 0.375 . . . . 74.05 110.954 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.637 HG11 HD12 ' A' ' 41' ' ' LEU . 11.6 p -97.09 137.37 24.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.918 0.39 . . . . 70.33 110.606 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -107.77 148.52 29.38 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.276 -0.875 . . . . 73.14 109.687 177.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 98.3 m-85 -70.75 -11.33 60.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.945 0.402 . . . . 74.04 110.891 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 m -67.93 -14.07 62.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.041 -0.527 . . . . 64.45 111.384 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB1' ' H ' ' A' ' 62' ' ' ASN . . . -136.37 23.2 3.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 61.12 111.17 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.665 HD11 ' HG ' ' A' ' 41' ' ' LEU . 10.2 tp -81.02 151.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.6 . . . . 74.14 111.769 -173.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.413 ' HG3' ' H ' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -77.55 -176.46 4.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.754 -0.657 . . . . 73.34 110.972 176.823 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . -147.51 -142.48 3.69 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.733 -0.746 . . . . 72.21 112.517 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 69.03 89.4 0.1 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.594 0.712 . . . . 72.43 111.15 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.9 -77.66 2.04 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.326 -0.852 . . . . 75.32 111.586 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -106.22 101.74 11.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.197 0.522 . . . . 74.12 110.408 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -85.35 -3.39 58.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.542 -0.754 . . . . 73.43 110.08 179.608 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 p -103.23 163.64 12.12 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.565 -0.743 . . . . 55.43 109.662 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.665 ' HG ' HD11 ' A' ' 33' ' ' ILE . 55.8 mt -107.02 128.99 54.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.878 0.37 . . . . 72.31 110.355 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -99.45 126.84 45.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.754 -0.657 . . . . 71.53 109.762 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -57.84 123.14 14.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.883 -0.599 . . . . 63.03 110.955 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.88 -15.1 11.26 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.912 -0.661 . . . . 60.43 113.034 -176.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -100.71 149.93 23.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 117.659 0.729 . . . . 62.12 110.699 177.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -94.33 144.95 25.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.296 -0.411 . . . . 70.05 110.787 177.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.7 m -140.55 159.57 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 71.31 110.934 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 m -99.77 144.94 28.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.945 -0.761 . . . . 71.34 108.945 176.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.467 ' HA ' ' O ' ' A' ' 62' ' ' ASN . 48.0 p90 -169.99 153.58 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.754 0.312 . . . . 72.31 110.282 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -97.16 141.96 29.66 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.266 -0.574 . . . . 74.44 109.677 174.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.739 HG23 ' HG3' ' A' ' 2' ' ' GLU . 77.3 t -87.52 114.14 25.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.114 0.483 . . . . 64.35 111.001 -177.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -96.02 115.53 27.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.484 -0.78 . . . . 72.32 109.676 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.52 108.99 4.03 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.338 -0.616 . . . . 72.51 109.338 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.75 -148.12 18.45 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.953 -0.642 . . . . 72.33 112.169 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -78.57 -25.85 45.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.83 0.348 . . . . 74.44 111.097 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -144.17 -64.79 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 74.11 111.409 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.86 155.88 22.2 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.493 -0.861 . . . . 55.33 112.552 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.32 116.69 4.4 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 123.003 2.469 . . . . 75.03 110.932 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 27' ' ' PHE . 14.0 pt20 -106.88 151.29 25.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.939 0.4 . . . . 73.31 111.086 -176.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB3' HG23 ' A' ' 28' ' ' VAL . . . -80.99 118.7 22.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.927 -0.579 . . . . 71.12 111.127 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.66 139.62 51.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.495 -0.775 . . . . 74.12 109.192 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 27.7 m-80 56.66 85.52 0.08 Allowed 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.015 0.436 . . . . 75.12 109.997 -173.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -98.95 126.65 52.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.65 -0.704 . . . . 74.12 110.283 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -121.0 142.92 49.34 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.249 -0.648 . . . . 74.11 109.249 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -66.71 132.65 48.57 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.236 -0.283 . . . . 64.43 110.236 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.803 -0.617 . . . . 25.42 110.272 -179.531 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 121.503 0.668 . . . . 72.33 109.467 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.574 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 35.1 tt0 -98.77 153.76 18.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.089 -0.96 . . . . 72.11 110.171 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.98 -178.98 29.8 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.888 -0.672 . . . . 64.13 111.87 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.8 m -106.5 130.37 54.3 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.556 0.217 . . . . 62.12 110.502 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.82 116.83 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.582 -0.281 . . . . 73.1 110.54 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -79.99 -62.35 1.71 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.686 -0.487 . . . . 73.04 109.686 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.503 ' HD1' ' H ' ' A' ' 9' ' ' PHE . 4.2 t90 176.42 151.19 0.15 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.349 -0.611 . . . . 72.2 109.349 -177.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.824 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 9.3 m-85 -88.72 87.64 7.32 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.609 -0.886 . . . . 72.44 108.609 168.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -60.87 98.59 0.07 Allowed 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 122.052 0.93 . . . . 54.42 110.953 -160.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.22 -10.65 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 113.458 -1.701 . . . . 64.21 114.329 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -54.52 -37.6 65.57 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.975 -0.75 . . . . 73.13 108.975 167.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -116.11 -30.43 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.316 -0.857 . . . . 70.41 109.968 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.9 60.37 1.78 Allowed Glycine 0 C--N 1.332 0.338 0 N-CA-C 111.032 -0.827 . . . . 72.3 111.032 -173.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 33.5 m-85 -164.49 146.71 8.64 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 121.134 -0.226 . . . . 73.55 110.645 -164.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.824 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -89.98 141.49 16.04 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 119.398 -1.382 . . . . 64.51 114.27 -162.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 34.3 m-85 -122.01 134.54 54.8 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 114.897 -0.652 . . . . 75.23 109.653 170.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.552 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 52.4 mt -116.14 142.68 28.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-N 115.336 -0.847 . . . . 72.41 110.176 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.732 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 40.7 tt0 -101.7 124.86 48.05 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.434 -0.803 . . . . 63.52 110.643 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.669 ' HD3' ' CZ ' ' A' ' 49' ' ' PHE . 15.0 mtm180 -134.39 -171.86 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.808 -0.633 . . . . 73.11 109.697 176.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.61 -24.53 63.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.934 0.397 . . . . 65.54 110.769 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -85.3 -6.38 59.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 72.12 110.812 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.84 177.81 16.71 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.739 . . . . 62.11 112.208 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.732 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 8.5 p-10 -98.98 58.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.641 0.734 . . . . 71.34 110.369 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.4 28.15 4.69 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.659 -0.7 . . . . 61.45 111.303 -177.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.552 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 60.7 t -85.55 112.08 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.442 -0.503 . . . . 64.0 110.203 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -76.76 107.32 8.99 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.037 -0.529 . . . . 53.43 111.612 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.441 HG21 HG13 ' A' ' 18' ' ' ILE . 38.8 t -94.41 125.49 47.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.201 -0.454 . . . . 73.2 111.027 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -99.39 164.59 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.667 -0.697 . . . . 75.25 110.181 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.55 ' HA ' HD13 ' A' ' 33' ' ' ILE . 22.0 p90 -66.38 -18.81 65.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.089 -0.505 . . . . 74.21 112.079 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.5 p -77.09 -11.29 59.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.036 0.446 . . . . 40.43 111.156 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.602 ' O ' HG12 ' A' ' 63' ' ' VAL . . . -82.79 -37.68 24.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.239 -0.437 . . . . 74.13 111.331 -178.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.55 HD13 ' HA ' ' A' ' 30' ' ' PHE . 2.1 mp -49.98 128.39 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 123.895 0.747 . . . . 53.34 112.213 -172.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.457 ' OE1' HG13 ' A' ' 63' ' ' VAL . 5.2 pm0 -83.09 159.38 22.12 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.894 -0.594 . . . . 75.4 110.143 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.96 87.62 1.37 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.448 -0.882 . . . . 43.45 112.699 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -113.52 -77.24 0.58 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.854 -0.795 . . . . 73.52 108.854 171.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.83 23.55 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 114.631 -1.168 . . . . 73.41 110.314 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' A' ' 40' ' ' SER . 55.6 m-85 -128.52 105.46 8.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.538 -0.331 . . . . 70.23 110.237 -174.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.523 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -82.21 -17.84 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.634 0.731 . . . . 74.14 109.089 174.711 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 38' ' ' PHE . 18.4 m -119.0 154.24 33.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.942 -1.026 . . . . 75.3 108.428 172.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.54 ' HB2' ' HE1' ' A' ' 9' ' ' PHE . 81.0 mt -106.62 147.41 29.53 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.647 -0.421 . . . . 73.12 110.726 -176.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.502 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 31.6 t70 -83.79 122.66 28.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.681 . . . . 65.34 110.58 -177.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG3' ' H ' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -63.69 129.71 41.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.532 0.682 . . . . 74.33 111.163 -178.644 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.28 -7.86 44.03 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.563 -0.827 . . . . 73.31 112.723 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 2.7 pt20 -89.8 150.98 22.02 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 117.405 0.603 . . . . 50.11 110.562 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.25 135.85 35.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.004 -0.544 . . . . 71.15 110.301 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.405 ' HB ' ' CG2' ' A' ' 63' ' ' VAL . 20.6 m -139.97 148.06 23.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.322 -0.399 . . . . 65.02 110.456 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.588 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 4.8 m -98.17 152.87 18.91 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.599 -0.889 . . . . 51.31 108.599 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CZ ' ' HD3' ' A' ' 20' ' ' ARG . 51.5 p90 -159.75 163.8 34.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 118.683 0.674 . . . . 75.4 111.466 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -93.58 108.81 20.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.775 -0.648 . . . . 63.5 109.65 173.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.573 ' HB ' ' HE1' ' A' ' 49' ' ' PHE . 7.4 p -88.65 128.55 40.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.927 -0.579 . . . . 74.44 110.932 -177.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -132.16 136.23 46.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.53 . . . . 73.5 110.146 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -108.49 109.89 21.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 74.44 110.387 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.13 -147.63 9.33 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.637 -0.985 . . . . 64.35 110.637 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -89.41 13.29 14.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.745 0.783 . . . . 73.42 109.78 176.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -117.66 -162.26 0.86 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.716 -1.129 . . . . 62.33 108.691 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.481 ' O ' ' HG3' ' A' ' 59' ' ' GLN . . . -67.77 167.44 41.66 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.693 -0.765 . . . . 74.03 112.5 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.1 121.32 8.75 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.001 2.468 . . . . 75.11 111.594 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 63.0 mt-30 -112.91 142.84 45.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.077 0.465 . . . . 73.55 111.301 -172.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.28 120.34 39.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.434 -0.803 . . . . 63.41 110.541 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.06 136.91 55.01 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.566 -0.531 . . . . 55.45 109.566 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.442 ' H ' ' HA ' ' A' ' 32' ' ' ALA . 19.1 m-80 62.48 98.78 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.588 0.555 . . . . 74.12 110.618 -176.035 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 32' ' ' ALA . 7.4 p -105.65 116.9 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.905 0.859 . . . . 43.22 111.191 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.588 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 21.5 tt0 -86.94 147.74 25.63 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.598 -1.183 . . . . 72.43 110.068 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -83.15 148.61 27.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.478 -0.328 . . . . 73.52 110.231 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.409 -0.805 . . . . 72.32 110.306 -179.144 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.471 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 28.4 mm-40 . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 121.088 0.471 . . . . 72.34 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.507 ' NE2' ' HB1' ' A' ' 46' ' ' ALA . 17.8 tm0? -99.0 134.47 41.78 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.663 -0.699 . . . . 75.31 109.23 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.55 156.12 26.81 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.3 -0.952 . . . . 45.44 112.413 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m -111.64 121.72 45.89 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.113 -0.329 . . . . 70.33 110.113 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.08 114.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.126 -0.324 . . . . 64.02 110.126 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.604 ' HE3' ' HB2' ' A' ' 19' ' ' GLU . 40.2 ttmt -88.32 -52.71 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.4 -0.364 . . . . 74.34 111.017 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -163.4 174.4 11.99 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.882 -0.414 . . . . 75.51 109.882 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -129.5 94.39 3.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.627 0.727 . . . . 74.42 109.919 176.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.47 93.1 0.47 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.443 0.64 . . . . 75.41 111.074 -177.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.31 -25.33 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.236 -0.893 . . . . 75.44 111.684 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.35 -42.72 74.22 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.341 0.591 . . . . 70.4 110.289 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -97.09 -19.86 18.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.653 -0.703 . . . . 65.31 110.262 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.72 42.66 12.94 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.612 -0.722 . . . . 71.24 113.129 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -148.1 170.9 16.79 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.935 -0.395 . . . . 72.13 109.935 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 27' ' ' PHE . . . -98.52 140.74 15.19 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.641 -0.79 . . . . 61.1 111.314 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.496 ' CE1' ' HA ' ' A' ' 25' ' ' ASP . 69.5 t80 -112.63 132.46 55.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.211 0.529 . . . . 73.23 110.767 -177.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.511 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 78.6 mt -127.29 139.93 50.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-N 115.431 -0.804 . . . . 53.23 110.676 -175.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.864 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 40.3 tt0 -104.36 146.58 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.695 -0.684 . . . . 75.12 110.601 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.441 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 27.4 mtp180 -135.71 179.75 6.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 73.12 110.796 175.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' OE1' ' HB3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.92 -30.51 58.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.612 -0.722 . . . . 74.13 110.712 179.159 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -83.32 5.75 22.19 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.425 -0.352 . . . . 63.52 111.125 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.22 168.38 12.42 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.962 -0.637 . . . . 52.25 111.81 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.864 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 12.7 p-10 -124.17 108.78 12.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.369 0.604 . . . . 71.22 111.071 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.496 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 30.2 t70 -170.07 26.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.299 -0.864 . . . . 72.35 108.776 176.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.511 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 41.9 t -89.13 115.94 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 115.608 -0.724 . . . . 62.24 110.102 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 57.1 m-85 -100.05 123.15 43.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.073 0.463 . . . . 70.45 111.096 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.5 p -94.82 138.56 20.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.896 -0.593 . . . . 73.51 110.046 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -98.73 154.2 18.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 72.13 109.973 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -67.48 -38.24 84.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.901 0.381 . . . . 72.32 111.024 -175.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -77.2 -2.84 36.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 41.35 111.218 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.629 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -95.49 -5.29 43.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.146 0.498 . . . . 74.32 110.565 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.4 mt -88.22 149.62 4.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.573 -0.739 . . . . 73.51 109.571 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.6 pm0 -79.09 9.54 4.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.799 0.333 . . . . 45.31 111.745 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.67 173.39 16.05 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.877 -0.678 . . . . 61.34 112.393 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -115.38 -63.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.273 -0.64 . . . . 74.11 109.273 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.81 -33.36 75.3 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 110.977 -0.849 . . . . 71.14 110.977 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -91.33 87.97 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.906 -0.405 . . . . 63.4 109.906 173.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -112.69 11.01 19.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.553 0.692 . . . . 74.02 109.741 178.034 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 p -117.18 146.49 43.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.329 -0.851 . . . . 73.51 110.243 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.6 mt -117.16 152.19 35.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.284 -0.416 . . . . 71.53 110.19 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 28.7 t70 -84.86 129.53 34.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.216 -0.447 . . . . 62.55 110.935 -178.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.73 119.96 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 75.24 111.087 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.04 -7.21 37.69 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.782 -0.723 . . . . 44.34 113.08 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.737 ' NE2' ' HE2' ' A' ' 65' ' ' LYS . 2.3 pt20 -86.92 153.16 21.82 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 117.348 0.574 . . . . 74.02 110.665 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HB1' ' NE2' ' A' ' 3' ' ' GLN . . . -95.79 139.4 32.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.744 -0.662 . . . . 74.54 110.253 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.79 165.07 32.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.041 0.448 . . . . 73.0 110.819 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -124.74 135.12 52.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.978 -0.749 . . . . 72.43 108.978 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -146.09 170.05 17.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.861 0.362 . . . . 72.02 111.167 -175.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -103.19 109.92 21.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.82 -0.627 . . . . 73.42 109.44 174.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.471 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 8.9 p -73.76 134.7 29.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.357 0.598 . . . . 53.14 111.253 -173.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -122.41 150.88 41.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.438 -0.801 . . . . 73.34 109.109 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -79.92 129.06 34.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.926 0.393 . . . . 71.52 110.435 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.23 179.24 36.25 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.955 -0.858 . . . . 63.4 110.955 175.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -72.49 -37.23 68.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.958 0.379 . . . . 74.24 111.351 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.8 mtm-85 -132.57 10.81 4.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.55 -0.46 . . . . 72.31 111.73 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.01 160.45 26.79 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.99 -1.1 . . . . 31.12 112.582 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -71.15 127.74 13.88 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.083 2.522 . . . . 52.43 111.962 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -111.38 138.48 47.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.059 0.457 . . . . 74.24 110.851 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.27 114.6 23.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.771 -0.65 . . . . 32.55 110.175 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.629 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -120.28 154.96 34.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.803 -0.635 . . . . 64.32 109.621 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 51.66 76.4 0.17 Allowed 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.462 0.476 . . . . 74.24 110.625 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.34 138.26 20.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.832 -0.622 . . . . 73.45 110.7 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -135.2 145.64 47.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.102 -0.499 . . . . 53.54 109.671 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.737 ' HE2' ' NE2' ' A' ' 45' ' ' GLN . 26.5 tptp -66.45 126.22 28.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.051 -0.352 . . . . 75.01 110.051 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.495 -0.764 . . . . 52.34 110.853 -178.537 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.207 -0.664 . . . . 73.12 109.207 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -133.36 138.03 46.13 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.675 -0.491 . . . . 73.34 109.675 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.85 -169.23 16.43 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.778 -0.725 . . . . 73.41 112.132 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.6 m -125.7 138.37 53.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.814 0.34 . . . . 62.11 110.847 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.97 122.4 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.473 -0.566 . . . . 53.44 109.473 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -93.91 -46.01 7.37 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.945 -0.302 . . . . 73.43 111.447 -175.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.43 ' CZ3' ' HB3' ' A' ' 10' ' ' ASN . 9.0 t90 -167.5 167.07 13.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.779 -0.452 . . . . 72.35 109.779 -177.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.474 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 20.4 p90 -157.04 110.33 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.396 0.617 . . . . 74.11 111.217 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.43 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 1.8 p30 -80.86 80.67 7.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.781 0.801 . . . . 71.4 110.37 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.34 -24.86 65.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.942 -1.026 . . . . 71.53 112.103 -175.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -34.92 74.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.47 -0.332 . . . . 65.44 111.153 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -112.78 -2.93 14.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 75.3 111.277 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.451 ' HA2' ' HE2' ' A' ' 30' ' ' PHE . . . 79.18 46.41 8.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.985 -0.626 . . . . 45.21 113.281 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -145.83 177.96 8.53 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.819 -0.437 . . . . 75.44 109.819 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 9' ' ' PHE . . . -174.26 -175.96 42.27 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.846 -0.692 . . . . 51.14 111.995 174.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.54 134.63 45.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.858 0.361 . . . . 75.41 110.464 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.3 mt -131.29 146.66 33.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.128 -0.693 . . . . 64.13 109.128 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.611 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 9.6 pt-20 -100.83 127.81 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.367 0.603 . . . . 73.12 112.052 -174.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -98.95 156.73 16.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.802 -1.185 . . . . 74.04 107.802 167.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.86 -8.54 53.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.117 0.414 . . . . 63.12 112.117 -174.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -112.43 -1.25 15.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.908 0.385 . . . . 75.12 110.584 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.67 104.69 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.954 -0.641 . . . . 73.15 111.926 -176.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.611 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.6 p-10 -93.95 58.3 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.468 0.651 . . . . 72.32 111.569 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -161.44 44.8 0.17 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.523 0.678 . . . . 74.3 110.843 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.2 t -86.98 131.38 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 64.24 110.078 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -82.97 115.33 21.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.241 -0.436 . . . . 54.22 110.415 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.696 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 10.3 p -101.97 145.7 11.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.187 0.518 . . . . 75.12 110.726 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -129.94 155.22 46.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.482 -0.781 . . . . 65.3 109.052 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.584 ' HA ' HG12 ' A' ' 33' ' ' ILE . 73.3 m-85 -67.32 -15.88 63.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.509 0.559 . . . . 72.34 112.509 -170.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.7 m -69.63 -18.78 63.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.809 0.338 . . . . 62.32 110.979 176.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -91.04 -11.19 39.53 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.142 0.496 . . . . 53.42 110.715 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.584 HG12 ' HA ' ' A' ' 30' ' ' PHE . 45.5 mm -74.04 138.55 20.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.598 -0.728 . . . . 44.44 109.666 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -69.03 149.02 49.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.235 -0.439 . . . . 73.34 110.593 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 36' ' ' ASP . . . -91.41 170.98 34.58 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.842 -0.903 . . . . 60.43 110.842 173.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 8.9 t70 72.49 115.01 0.05 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.395 0.617 . . . . 74.53 111.168 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.78 -111.76 3.32 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.914 -0.66 . . . . 45.24 112.595 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -82.02 88.67 6.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.867 0.365 . . . . 62.01 110.927 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 17.95 10.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.751 0.786 . . . . 62.44 110.414 177.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.0 m -148.53 139.4 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.184 -0.916 . . . . 44.33 109.065 173.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.2 mt -107.87 136.6 47.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.796 0.331 . . . . 61.24 111.341 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 15.6 m-20 -84.25 122.76 29.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.644 . . . . 63.15 110.068 175.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.99 136.69 58.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.205 0.526 . . . . 74.44 110.255 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.97 -24.3 19.31 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.736 -0.745 . . . . 74.24 112.505 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 28.5 pt20 -85.23 150.13 25.01 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 117.514 0.657 . . . . 65.03 110.645 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.17 140.14 30.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.693 -0.685 . . . . 65.43 110.533 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.49 HG12 ' HD2' ' A' ' 65' ' ' LYS . 18.3 m -142.66 149.01 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.814 -0.63 . . . . 73.04 110.798 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.0 m -74.97 134.63 41.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.598 -1.26 . . . . 62.51 107.598 169.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.767 ' CZ ' ' HB1' ' A' ' 60' ' ' ALA . 5.3 t80 -148.0 144.34 27.88 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.807 -0.757 . . . . 75.34 111.808 -164.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -105.34 167.27 9.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 53.14 110.387 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.9 p -142.6 136.52 27.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.276 0.56 . . . . 73.43 111.038 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.7 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 51.4 mm-40 -111.1 152.83 26.51 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.523 -0.762 . . . . 74.53 109.452 175.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.3 119.58 22.55 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.059 0.457 . . . . 74.35 110.326 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' A' ' 57' ' ' GLY . . . -96.07 170.73 27.79 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.793 -0.718 . . . . 75.12 112.9 -175.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -70.93 -39.77 72.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.239 0.542 . . . . 75.42 110.441 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -104.94 -52.28 2.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.702 -0.681 . . . . 53.21 110.094 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.461 ' O ' ' HA3' ' A' ' 54' ' ' GLY . . . -143.37 172.85 24.61 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.448 -0.796 . . . . 44.23 111.142 178.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -57.07 125.94 20.59 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.693 2.262 . . . . 74.21 112.171 -179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.7 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 14.3 pt20 -96.39 134.39 39.6 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.459 -0.571 . . . . 75.44 109.459 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.767 ' HB1' ' CZ ' ' A' ' 49' ' ' PHE . . . -76.52 145.72 38.93 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.896 -0.593 . . . . 70.02 111.666 -175.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.461 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -152.8 153.72 33.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.309 -0.405 . . . . 70.24 111.072 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.6 m120 54.34 93.53 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.752 0.821 . . . . 72.43 112.755 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.647 HG22 ' HE1' ' A' ' 49' ' ' PHE . 62.1 t -83.29 129.72 37.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.803 -0.635 . . . . 75.34 110.068 170.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -136.38 125.45 24.44 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.917 -0.771 . . . . 63.1 108.917 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HD2' HG12 ' A' ' 47' ' ' VAL . 25.2 tptp -70.9 130.95 42.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.364 0.602 . . . . 74.11 111.912 -174.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.796 0 CA-C-N 115.035 -0.984 . . . . 63.32 109.345 172.702 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.46 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 76.0 mm-40 . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 121.155 0.502 . . . . 72.12 111.419 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -139.93 118.34 12.15 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.647 -0.872 . . . . 74.21 108.647 172.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.59 -169.75 19.63 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.118 -1.039 . . . . 64.23 112.788 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 m -104.78 133.32 49.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.682 0.277 . . . . 74.02 110.482 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.29 111.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.014 -0.365 . . . . 73.31 110.014 178.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -78.61 -64.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.067 -0.515 . . . . 74.03 110.583 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -176.24 142.82 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.642 -0.708 . . . . 71.53 109.393 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.667 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 31.9 p90 -138.64 123.25 18.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.076 0.465 . . . . 70.13 110.709 -178.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -70.63 86.14 0.65 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.535 0.683 . . . . 51.43 110.6 176.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.74 -20.58 65.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.312 -0.858 . . . . 73.41 111.213 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.19 -33.15 67.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.007 -0.542 . . . . 75.2 110.204 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -103.48 -19.84 14.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 71.21 110.34 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.73 21.07 32.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.999 -0.619 . . . . 73.53 112.327 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -138.17 174.25 10.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.416 -0.587 . . . . 75.5 109.416 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.667 ' HA3' ' HA ' ' A' ' 9' ' ' PHE . . . 174.33 -166.62 38.66 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.38 -0.914 . . . . 74.2 112.542 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 95.9 m-85 -125.32 134.94 52.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.409 0.624 . . . . 74.0 111.372 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 61.9 mt -109.68 147.97 13.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.29 -0.868 . . . . 73.42 108.67 171.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -100.31 130.79 46.47 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.318 -0.623 . . . . 73.44 109.318 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.464 ' HB2' ' H ' ' A' ' 23' ' ' GLY . 72.5 mtp180 -84.14 170.38 13.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.838 0.351 . . . . 70.25 110.524 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.92 -46.64 62.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.174 -0.466 . . . . 72.34 109.918 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -93.64 -21.97 19.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.531 . . . . 72.41 111.27 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.464 ' H ' ' HB2' ' A' ' 20' ' ' ARG . . . -145.98 -149.42 4.99 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.409 -0.9 . . . . 74.13 113.129 -175.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -145.38 -177.64 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.993 -0.373 . . . . 65.01 109.993 -177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 63.75 85.39 0.13 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.753 0.821 . . . . 74.45 112.919 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.546 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 91.1 t -123.51 116.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.846 -0.615 . . . . 75.42 109.564 168.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -71.02 104.4 2.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.177 0.513 . . . . 71.1 110.655 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 p -95.0 144.83 9.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.835 -0.432 . . . . 71.33 109.835 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -138.35 138.83 38.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.466 -0.568 . . . . 75.31 109.466 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.514 ' HA ' HD13 ' A' ' 33' ' ' ILE . 42.0 p90 -51.57 -31.65 25.38 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.166 0.802 . . . . 72.44 113.166 -170.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 p -70.38 -13.3 62.08 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.357 0.503 . . . . 51.51 112.357 -175.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.84 -7.24 52.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.86 0.362 . . . . 53.41 111.342 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 30' ' ' PHE . 2.5 mp -90.27 134.66 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.097 0.475 . . . . 74.11 110.628 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -126.87 152.37 47.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.702 -0.681 . . . . 42.43 109.379 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.63 -164.5 35.42 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.197 -1.001 . . . . 53.15 112.155 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -86.18 -5.99 59.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.02 0.438 . . . . 53.32 110.539 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.3 55.96 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.779 -0.929 . . . . 65.11 110.779 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -131.17 117.76 19.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.89 0.376 . . . . 73.44 111.491 -173.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -117.55 1.48 12.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.722 0.772 . . . . 72.3 108.926 167.171 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.2 t -138.96 146.2 40.68 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.53 -1.214 . . . . 50.22 109.411 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -107.68 158.55 17.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.111 0.482 . . . . 71.33 110.767 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -91.85 121.35 33.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.042 -0.526 . . . . 72.03 110.033 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.65 131.0 43.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.092 -0.504 . . . . 74.21 110.237 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.71 -10.75 56.11 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.631 -0.795 . . . . 65.33 112.649 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.462 ' NE2' ' HE2' ' A' ' 65' ' ' LYS . 2.0 pt20 -88.84 156.59 18.85 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 117.227 0.514 . . . . 72.3 110.175 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -98.88 129.72 45.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.013 -0.54 . . . . 70.3 109.857 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.28 162.19 40.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.036 0.446 . . . . 74.13 110.873 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.2 m -116.92 148.52 41.28 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.628 -0.878 . . . . 73.55 108.628 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.522 ' CE1' HG11 ' A' ' 26' ' ' VAL . 22.9 p90 -162.92 160.55 25.0 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.24 0.543 . . . . 70.22 111.123 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -87.06 148.05 25.43 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.493 -0.928 . . . . 71.2 108.493 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.0 p -102.63 130.9 51.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.379 0.609 . . . . 75.3 111.918 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.528 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 23.5 mm-40 -104.0 140.16 38.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.342 -0.845 . . . . 65.14 109.857 173.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.02 148.29 46.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.782 0.325 . . . . 63.44 110.448 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 57' ' ' GLY . . . -132.28 157.2 22.39 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.779 -0.724 . . . . 32.15 111.45 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -86.21 4.81 37.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.118 0.485 . . . . 72.05 110.752 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -137.52 -52.39 0.65 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.391 -0.822 . . . . 75.05 109.159 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.413 ' O ' ' HA3' ' A' ' 54' ' ' GLY . . . -150.44 162.82 29.41 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.043 -0.823 . . . . 50.15 111.043 176.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.1 143.63 44.94 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.599 2.199 . . . . 72.31 112.365 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.528 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 24.6 pt20 -115.11 160.43 19.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.966 0.413 . . . . 63.34 110.615 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.5 129.56 36.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.769 -0.651 . . . . 72.34 111.143 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.36 136.61 39.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.702 -0.481 . . . . 55.43 109.702 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 61.48 88.35 0.09 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.157 0.503 . . . . 65.22 110.18 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -91.87 113.61 27.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.144 0.497 . . . . 74.33 111.16 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -92.95 125.09 37.37 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.047 -0.723 . . . . 73.23 109.047 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HE2' ' NE2' ' A' ' 45' ' ' GLN . 25.8 tptp -69.98 120.29 15.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.135 0.493 . . . . 74.53 111.283 -176.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.245 0.862 0 CA-C-N 115.592 -0.731 . . . . 70.14 109.135 174.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.74 ' HB3' HH11 ' A' ' 20' ' ' ARG . 5.7 mm-40 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.942 0.401 . . . . 73.51 110.735 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -139.22 146.28 40.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.253 -0.647 . . . . 75.3 109.253 174.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.55 162.27 29.86 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.445 -0.883 . . . . 52.11 112.453 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 30.4 m -101.43 125.33 48.05 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 110.317 -0.253 . . . . 70.43 110.317 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.33 111.83 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.23 -0.656 . . . . 61.32 109.23 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HD2' ' HB2' ' A' ' 19' ' ' GLU . 82.1 tttt -88.07 -55.98 3.52 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.012 -0.275 . . . . 70.3 111.113 -172.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -158.95 138.64 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.0 -0.28 . . . . 71.25 110.821 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 65.4 t80 -98.65 99.9 11.07 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.726 -0.472 . . . . 71.21 109.726 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.541 ' OD1' ' HB2' ' A' ' 13' ' ' LYS . 2.1 p30 -71.81 82.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.962 0.887 . . . . 74.14 110.519 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.74 -26.56 68.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.759 -1.11 . . . . 62.12 112.32 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -72.64 -11.35 60.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.184 0.516 . . . . 72.13 110.914 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.541 ' HB2' ' OD1' ' A' ' 10' ' ' ASN . 30.7 mmmt -113.55 -21.23 10.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.037 -0.529 . . . . 74.33 110.091 173.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.5 26.73 24.48 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.83 -0.623 . . . . 63.24 112.548 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.07 -178.22 5.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.552 -0.381 . . . . 74.32 109.998 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -140.4 154.22 23.97 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.738 -0.744 . . . . 63.14 111.6 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -111.5 134.36 53.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.995 0.426 . . . . 64.24 110.305 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 30.8 mt -114.59 136.13 52.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 CA-C-N 115.567 -0.742 . . . . 63.23 109.746 175.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.777 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 36.7 tt0 -103.31 123.39 46.7 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.25 -0.887 . . . . 73.13 110.074 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.74 HH11 ' HB3' ' A' ' 2' ' ' GLU . 11.8 ttp180 -122.66 176.3 6.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.896 -0.779 . . . . 74.21 108.896 176.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' H ' ' HG2' ' A' ' 20' ' ' ARG . 10.5 mm-40 -67.65 -7.26 25.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.017 0.436 . . . . 75.33 111.189 -178.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.03 12.61 25.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 71.42 110.779 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.95 155.7 9.16 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.62 -0.8 . . . . 33.41 112.85 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.777 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 18.7 p-10 -98.6 57.62 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.659 0.743 . . . . 71.22 110.103 177.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -122.51 15.51 10.37 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.563 -0.744 . . . . 73.4 110.45 -173.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.549 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 49.1 t -87.08 120.49 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.352 -0.385 . . . . 75.15 110.9 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -88.38 144.89 26.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 55.42 111.244 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 m -138.81 149.09 23.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 116.022 -0.535 . . . . 75.53 111.146 173.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -145.68 178.49 8.11 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.639 -0.874 . . . . 64.2 108.639 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' O ' HG22 ' A' ' 33' ' ' ILE . 94.4 m-85 -63.8 -10.02 17.87 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.658 0.614 . . . . 71.1 112.658 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -69.53 -19.18 63.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.146 0.498 . . . . 71.33 110.647 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -102.8 -25.07 13.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.96 -0.564 . . . . 54.21 112.021 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.508 ' HA ' HG21 ' A' ' 63' ' ' VAL . 11.4 tp -63.07 148.48 11.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 123.545 0.528 . . . . 53.52 111.972 -170.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -80.25 -178.65 6.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.466 -0.788 . . . . 71.13 109.975 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -135.23 -155.08 7.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.563 -0.827 . . . . 64.1 111.692 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 71.87 -56.4 0.64 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.308 0.643 . . . . 74.41 111.928 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.69 -51.92 0.3 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.747 -0.739 . . . . 54.15 113.235 -176.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -119.09 117.16 27.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.508 -0.407 . . . . 70.22 110.934 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -94.76 0.65 55.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.367 0.603 . . . . 73.45 110.007 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.7 m -151.16 157.56 42.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 62.32 109.71 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.468 HD13 HG21 ' A' ' 47' ' ' VAL . 98.7 mt -113.98 165.0 13.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.011 0.434 . . . . 74.1 111.175 -175.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.11 126.71 33.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.402 -0.817 . . . . 51.33 111.037 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.72 114.71 7.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.201 -0.666 . . . . 62.04 109.201 174.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.28 -1.34 26.69 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.5 -0.857 . . . . 72.33 112.868 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -102.37 152.84 20.63 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 117.423 0.612 . . . . 73.23 110.023 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -93.66 134.37 36.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.049 -0.523 . . . . 75.44 110.033 177.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.468 HG21 HD13 ' A' ' 41' ' ' LEU . 1.3 m -140.75 154.85 21.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.989 0.423 . . . . 73.05 110.696 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 25.1 m -86.31 137.72 32.38 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.96 -0.563 . . . . 62.22 109.886 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.642 ' CZ ' HG22 ' A' ' 63' ' ' VAL . 8.5 m-85 -141.61 147.13 37.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 64.2 111.294 -175.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.66 103.45 15.14 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.166 -0.679 . . . . 74.43 109.166 170.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.612 HG12 ' HG3' ' A' ' 2' ' ' GLU . 11.0 p -95.8 141.37 15.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.048 0.452 . . . . 64.53 111.941 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -134.15 142.79 47.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.756 -0.656 . . . . 60.52 109.869 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 2.0 mp0 -85.46 118.65 25.12 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.243 -0.435 . . . . 70.34 110.758 -176.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.75 164.89 23.06 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.691 -0.766 . . . . 74.24 111.285 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -78.03 63.74 3.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.349 . . . . 74.54 111.098 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 171.73 -26.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.523 -0.762 . . . . 71.14 109.352 -177.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.49 151.85 7.35 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.08 -0.808 . . . . 73.53 111.08 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.513 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 57.2 Cg_endo -73.7 120.37 6.39 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.313 2.009 . . . . 64.03 112.064 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -112.64 144.0 42.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.06 0.457 . . . . 70.03 109.832 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 51' ' ' VAL . . . -96.95 132.6 42.57 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.118 -0.492 . . . . 30.12 110.126 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.526 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . . . -122.54 169.01 11.44 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.258 -0.645 . . . . 71.22 109.258 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.2 m120 58.84 94.44 0.03 OUTLIER 'General case' 0 C--O 1.242 0.66 0 CA-C-O 120.816 0.341 . . . . 74.2 110.965 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.642 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 61.9 t -82.99 134.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.815 -0.63 . . . . 71.24 111.084 176.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.612 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 60.7 tt0 -133.94 125.17 27.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.805 -0.813 . . . . 65.24 108.805 171.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -61.85 131.31 49.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.157 0.503 . . . . 72.01 111.385 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.245 0.835 0 CA-C-N 115.461 -0.79 . . . . 53.23 109.366 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.13 -0.322 . . . . 62.34 110.13 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? -131.33 125.73 33.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.073 -0.714 . . . . 73.51 109.073 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . -162.8 -153.11 7.06 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.116 -1.04 . . . . 34.14 112.937 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.0 m -132.66 142.59 49.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.644 -0.278 . . . . 74.21 110.287 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 41' ' ' LEU . 46.8 t -71.17 124.37 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.826 -0.435 . . . . 71.25 109.826 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -95.89 -42.26 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.075 -0.25 . . . . 63.02 111.559 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -160.28 159.38 31.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.833 -0.432 . . . . 75.0 109.833 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.464 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 6.4 p90 -141.87 110.96 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.402 0.62 . . . . 75.33 110.262 177.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.514 HD21 ' HB2' ' A' ' 15' ' ' PHE . 7.5 p-10 -81.48 81.98 7.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 122.37 1.081 . . . . 74.0 110.058 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.81 -16.72 64.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.692 -1.14 . . . . 53.22 111.089 -177.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.85 -31.31 64.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.727 -0.67 . . . . 52.4 111.067 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -125.64 0.44 7.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.496 -0.32 . . . . 73.34 111.372 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.499 ' HA2' ' HE2' ' A' ' 30' ' ' PHE . . . 81.71 42.71 8.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.639 -0.791 . . . . 43.52 113.078 174.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.514 ' HB2' HD21 ' A' ' 10' ' ' ASN . 94.2 m-85 -137.09 -173.68 3.52 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.452 -0.573 . . . . 61.14 109.452 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 9' ' ' PHE . . . -172.07 176.14 45.19 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.665 -0.778 . . . . 44.35 111.888 173.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -121.63 133.0 54.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.672 -0.492 . . . . 75.02 109.672 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.9 mt -112.57 143.93 21.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.876 -0.602 . . . . 72.04 109.533 177.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.71 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 37.2 tt0 -101.25 117.33 34.76 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.917 -0.583 . . . . 50.02 110.031 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 24.2 ptt180 -107.05 -174.86 2.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.547 -0.908 . . . . 73.54 108.547 175.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.87 -45.4 78.2 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.944 -0.303 . . . . 65.25 111.11 -177.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -96.8 18.59 14.15 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.536 0.569 . . . . 71.22 112.536 -175.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.488 ' O ' ' HG2' ' A' ' 20' ' ' ARG . . . 165.95 137.88 2.3 Favored Glycine 0 C--O 1.227 -0.319 0 C-N-CA 119.449 -1.358 . . . . 70.3 113.691 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.71 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.4 p-10 -115.24 58.08 0.72 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.564 0.697 . . . . 64.31 110.032 178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -152.48 30.35 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.339 -0.846 . . . . 43.22 109.381 -175.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.76 120.06 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.829 -0.623 . . . . 62.1 110.681 -176.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -73.9 111.81 9.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.029 -0.532 . . . . 73.04 111.094 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 p -98.79 138.92 21.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.21 0.528 . . . . 72.21 110.313 176.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -125.98 149.91 48.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.419 -0.809 . . . . 72.21 109.307 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.668 ' HA ' HG12 ' A' ' 33' ' ' ILE . 65.2 m-85 -64.94 -14.67 60.7 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.112 0.412 . . . . 61.02 112.112 -175.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 m -70.58 -3.51 18.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.984 0.421 . . . . 62.22 111.01 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.71 11.13 16.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 60.13 110.985 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.668 HG12 ' HA ' ' A' ' 30' ' ' PHE . 50.9 mm -87.77 134.23 28.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.551 -0.295 . . . . 71.21 110.538 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -80.64 -176.0 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 72.23 110.452 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.98 89.73 0.88 Allowed Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.404 -0.903 . . . . 71.5 111.67 175.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -121.38 156.77 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.1 -0.704 . . . . 55.23 109.1 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.78 -27.48 73.32 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.683 -0.77 . . . . 40.1 111.52 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -117.83 99.58 7.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.758 -0.83 . . . . 75.02 108.758 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.18 -0.03 43.14 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.189 0.518 . . . . 71.31 111.274 -171.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.532 ' HA ' ' HE1' ' A' ' 30' ' ' PHE . 37.8 m -104.05 157.61 16.99 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.085 -0.709 . . . . 63.14 109.085 173.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.584 ' HB3' HG21 ' A' ' 6' ' ' VAL . 84.9 mt -107.45 128.92 54.92 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.769 -0.372 . . . . 63.43 110.538 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -101.11 144.2 30.29 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.321 0.582 . . . . 70.55 110.804 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.04 122.86 17.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.284 -0.871 . . . . 74.25 110.123 -176.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.29 -21.64 10.71 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.297 -0.954 . . . . 61.5 113.109 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -81.27 138.21 35.76 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.573 -0.851 . . . . 61.12 110.304 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.89 134.26 33.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.774 -0.648 . . . . 74.04 110.79 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.9 m -138.61 148.23 24.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.372 0.606 . . . . 64.41 111.523 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.3 m -108.32 132.55 53.6 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.688 -1.227 . . . . 74.2 107.688 170.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -148.89 154.01 38.84 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.871 -0.418 . . . . 74.21 109.871 -171.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -87.06 160.22 18.67 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 119.271 -0.971 . . . . 55.33 109.665 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -120.21 124.08 71.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.437 0.637 . . . . 61.42 111.119 -175.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.483 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 42.7 mt-10 -95.09 124.39 39.1 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.738 -0.838 . . . . 71.43 108.738 174.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.98 128.12 35.64 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.758 -0.46 . . . . 74.2 109.758 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.53 153.47 38.89 Favored Glycine 0 N--CA 1.439 -1.108 0 C-N-CA 120.579 -0.819 . . . . 63.42 113.304 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -73.93 -20.75 60.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.737 -0.838 . . . . 63.35 108.737 171.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.0 mtp85 -150.93 -54.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.312 -1.313 . . . . 73.0 108.493 175.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.402 ' HA2' ' HD3' ' A' ' 58' ' ' PRO . . . -116.56 144.28 18.37 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.117 -0.947 . . . . 63.41 111.048 173.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.402 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 13.7 Cg_exo -69.34 137.99 38.06 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 123.16 2.573 . . . . 63.42 112.287 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.483 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 14.1 pt20 -119.73 152.36 37.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.269 -0.423 . . . . 64.22 110.395 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.46 142.51 27.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 52.41 111.894 -175.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB2' ' HG3' ' A' ' 52' ' ' GLU . . . -122.7 152.77 40.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.415 -0.812 . . . . 54.31 108.934 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.7 p30 23.24 101.59 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.283 1.216 . . . . 65.53 114.283 -173.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.9 t -97.12 110.41 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.584 -1.189 . . . . 71.44 110.887 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -100.91 154.15 18.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.375 -0.83 . . . . 64.44 109.56 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -81.22 130.34 34.99 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.813 -0.44 . . . . 74.34 109.813 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.613 -0.708 . . . . 64.41 110.444 -178.022 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.596 ' HG3' ' H ' ' A' ' 3' ' ' GLN . 4.5 tp10 . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 120.937 0.399 . . . . 71.44 110.042 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.596 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 23.5 tm0? -146.21 140.46 26.59 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 107.834 -1.173 . . . . 61.33 107.834 172.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.54 -153.6 8.12 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 119.461 -1.352 . . . . 71.1 113.397 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.3 m -142.53 145.73 33.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.565 -0.317 . . . . 74.32 110.202 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.89 114.38 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.73 -0.47 . . . . 44.32 109.73 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -74.15 -49.26 24.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.031 0.443 . . . . 74.35 110.175 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -166.69 171.48 11.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.846 -0.615 . . . . 61.4 109.356 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -140.35 101.57 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.514 0.674 . . . . 61.43 110.896 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -77.74 82.78 4.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.721 0.772 . . . . 62.31 110.871 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.04 -19.02 63.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.3 -0.864 . . . . 73.44 111.568 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -54.34 -41.13 68.72 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.873 -0.603 . . . . 63.01 110.641 174.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -106.33 -10.64 16.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.641 -0.709 . . . . 65.54 110.623 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.49 36.97 18.7 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.844 -0.693 . . . . 73.43 111.744 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -138.37 -174.93 3.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.566 -0.531 . . . . 73.04 109.566 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.9 174.36 39.23 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 110.968 -0.853 . . . . 64.22 110.968 173.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -117.66 133.71 55.65 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.084 -0.339 . . . . 62.04 110.084 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -116.73 138.25 47.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.905 -0.589 . . . . 74.51 109.543 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.632 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 8.9 pt-20 -108.93 125.09 51.65 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.372 0.606 . . . . 64.41 110.934 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.59 ' HD3' ' HE2' ' A' ' 49' ' ' PHE . 44.1 mtm180 -102.67 168.61 9.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.496 -0.774 . . . . 71.21 110.204 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -77.0 -11.1 59.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.54 0.686 . . . . 71.3 109.779 172.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -111.0 19.58 18.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.06 -0.973 . . . . 75.43 109.63 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.63 118.11 1.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.965 -0.636 . . . . 52.41 111.914 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.632 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 5.3 p-10 -89.75 56.23 3.45 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.634 0.731 . . . . 74.32 111.512 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -156.83 95.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 72.22 110.903 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.826 HG11 ' HZ ' ' A' ' 49' ' ' PHE . 59.7 t -139.54 137.24 40.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.498 . . . . 63.34 110.127 172.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -85.78 111.33 20.05 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.181 -0.303 . . . . 75.34 110.181 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 p -96.27 140.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.259 0.552 . . . . 74.4 110.478 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -129.27 154.08 47.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.331 -0.989 . . . . 64.11 108.331 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.616 ' HA ' HD13 ' A' ' 33' ' ' ILE . 32.9 p90 -67.51 5.14 0.84 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.538 0.57 . . . . 74.32 112.538 -174.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 p -80.34 -19.57 46.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.803 0.335 . . . . 73.52 111.098 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.64 0.46 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 54.14 111.881 -177.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.616 HD13 ' HA ' ' A' ' 30' ' ' PHE . 2.4 mp -95.58 140.55 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.35 -0.386 . . . . 35.02 110.026 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.491 HE22 ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -106.33 -170.65 1.76 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.395 -0.366 . . . . 72.1 110.456 -178.276 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.85 88.67 1.48 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.374 -0.917 . . . . 71.22 111.733 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -96.87 -20.78 17.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.561 0.696 . . . . 73.15 110.587 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.55 -39.92 2.3 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.828 -1.309 . . . . 70.11 109.828 -172.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -105.57 109.59 21.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.893 -0.78 . . . . 73.3 108.893 172.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 8.47 25.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.346 0.593 . . . . 74.31 110.606 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -120.04 162.75 18.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.326 -0.852 . . . . 64.15 109.123 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.88 147.74 29.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.75 0.31 . . . . 72.4 110.998 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.58 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 16.8 m-20 -111.02 132.45 54.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.955 -0.566 . . . . 63.04 110.102 178.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.36 113.31 6.57 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.237 0.541 . . . . 73.54 110.112 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.06 -4.96 28.75 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.328 -0.939 . . . . 43.42 113.534 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 12.2 pt20 -83.02 144.41 29.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.773 0.786 . . . . 71.02 110.34 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.6 142.87 27.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.985 -0.552 . . . . 73.32 110.78 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -145.2 153.94 14.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.25 -0.432 . . . . 64.2 111.192 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.8 m -85.91 133.72 33.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.225 -1.398 . . . . 71.41 107.225 167.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.826 ' HZ ' HG11 ' A' ' 26' ' ' VAL . 1.9 t80 -152.61 141.77 21.38 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.058 -0.657 . . . . 70.2 111.154 -165.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 61' ' ' ALA . 26.8 t70 -110.03 146.25 35.65 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.429 -0.508 . . . . 75.42 109.696 174.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.22 129.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.904 0.383 . . . . 74.13 111.025 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -116.03 136.7 52.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.174 -0.466 . . . . 74.11 109.765 174.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.68 139.32 53.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.876 -0.602 . . . . 70.13 110.374 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -131.78 174.03 20.32 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.825 -0.703 . . . . 72.11 111.845 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -64.12 107.87 1.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.484 0.183 . . . . 62.35 110.881 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 56' ' ' ARG . 44.8 mtp180 65.16 20.83 12.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.885 -0.598 . . . . 74.22 111.797 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.16 129.52 1.06 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.597 -0.811 . . . . 74.33 112.38 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.24 143.62 35.79 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.746 2.298 . . . . 72.44 111.817 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -114.62 162.65 16.49 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.118 0.485 . . . . 62.13 110.752 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.559 ' HA ' ' HE1' ' A' ' 49' ' ' PHE . . . -73.77 135.33 43.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.27 -0.877 . . . . 45.13 111.692 -177.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 50' ' ' ASP . . . -134.25 114.97 13.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.831 -0.622 . . . . 65.15 109.833 175.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 64.39 91.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.025 0.44 . . . . 74.3 110.736 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.51 101.63 12.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.2 -0.667 . . . . 72.24 109.2 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.491 ' HA ' HE22 ' A' ' 34' ' ' GLN . 62.9 tt0 -103.49 135.15 45.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.149 -175.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -64.04 131.45 47.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.362 -0.381 . . . . 63.33 110.559 -177.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.573 -0.727 . . . . 71.12 110.211 178.804 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 N--CA 1.444 -0.76 0 CA-C-O 121.06 0.457 . . . . 71.33 111.509 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -92.7 124.74 36.93 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.533 -0.914 . . . . 71.13 108.533 173.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.42 -157.96 13.48 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.087 -1.054 . . . . 73.04 112.691 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.3 m -117.96 138.81 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.661 0.267 . . . . 74.54 110.524 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.19 109.17 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.681 -0.488 . . . . 74.23 109.681 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -70.12 -58.31 3.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.174 -0.467 . . . . 73.33 110.124 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -166.94 140.32 3.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.014 -0.539 . . . . 74.11 109.985 -176.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.695 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 8.0 p90 -115.24 94.85 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.587 0.708 . . . . 55.14 110.108 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -68.68 89.76 0.39 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.682 -0.69 . . . . 54.44 111.707 -175.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.93 -14.32 62.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.617 -0.72 . . . . 65.3 110.445 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -55.4 -37.06 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.292 -0.867 . . . . 73.24 110.507 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -118.53 -11.79 9.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.732 -0.667 . . . . 73.22 110.643 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.26 43.58 6.2 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.876 -0.602 . . . . 60.33 112.439 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -139.41 -167.4 2.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.014 0.435 . . . . 74.43 110.633 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.695 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -162.81 160.15 32.56 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.288 -0.725 . . . . 72.04 111.288 176.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 94.0 m-85 -135.61 134.55 39.42 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.114 0.483 . . . . 73.14 110.868 178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.538 HG12 ' CG2' ' A' ' 28' ' ' VAL . 41.4 mm -109.05 146.37 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.43 -0.805 . . . . 52.21 109.716 177.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -102.35 127.21 49.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.47 -0.567 . . . . 74.15 109.47 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -123.67 175.33 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.362 0.601 . . . . 72.32 112.309 -171.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.64 -48.3 60.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.948 -1.024 . . . . 70.13 111.112 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -97.09 -21.23 17.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.844 -0.616 . . . . 72.52 111.181 -172.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.42 152.39 21.96 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.482 -0.866 . . . . 63.14 112.874 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -112.55 143.08 44.31 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.354 -0.239 . . . . 72.1 110.354 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 54.28 77.94 0.18 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.715 -0.675 . . . . 70.15 111.609 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 40.9 t -86.14 134.35 27.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.661 -0.7 . . . . 50.5 109.327 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -70.8 109.75 5.17 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.547 0.53 . . . . 71.12 111.708 -173.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.538 ' CG2' HG12 ' A' ' 18' ' ' ILE . 46.8 t -102.96 131.44 51.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.974 -0.38 . . . . 73.12 109.974 175.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.17 151.1 50.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.87 -0.605 . . . . 64.24 109.823 178.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.436 ' HZ ' ' HD3' ' A' ' 39' ' ' LYS . 13.7 t80 -60.91 -20.74 62.53 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.153 0.427 . . . . 72.21 112.153 -170.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -64.09 -20.33 65.88 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.946 0.403 . . . . 52.43 111.287 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.569 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -92.1 -10.47 38.87 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.903 0.382 . . . . 72.32 111.787 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.423 HG21 ' O ' ' A' ' 39' ' ' LYS . 26.8 mm -80.85 137.52 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.921 -0.582 . . . . 74.34 110.67 -174.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -111.64 -176.9 3.05 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.141 -0.689 . . . . 75.05 109.141 172.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.52 88.84 1.18 Allowed Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 119.927 -1.13 . . . . 55.33 111.81 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -112.67 79.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.105 -0.702 . . . . 55.1 109.105 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.93 -55.98 3.51 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.268 -0.733 . . . . 54.31 111.268 -171.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -133.48 168.62 18.29 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.299 -0.63 . . . . 53.34 109.299 176.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HD3' ' HZ ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -105.52 7.99 33.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.535 0.683 . . . . 63.21 109.719 173.313 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -111.08 138.34 47.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.086 -0.961 . . . . 70.32 109.017 174.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.4 mt -105.84 135.25 47.61 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.76 -0.459 . . . . 70.24 109.76 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 3.8 p-10 -96.19 125.59 40.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.604 0.716 . . . . 60.43 110.691 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.473 ' HG3' ' HE1' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -64.02 132.56 50.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.85 -0.614 . . . . 43.21 110.615 -178.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.59 -15.63 24.35 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.587 -0.733 . . . . 54.03 112.087 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 3.9 pt20 -84.39 152.01 24.33 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.856 0.36 . . . . 54.2 110.775 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.63 123.39 40.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.014 -0.539 . . . . 65.44 110.001 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.8 m -139.19 172.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.42 -0.354 . . . . 62.13 111.08 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.52 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 21.7 m -123.73 145.27 49.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.755 -0.657 . . . . 72.23 109.735 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.73 ' CE2' HG22 ' A' ' 63' ' ' VAL . 60.6 m-85 -135.61 150.2 49.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.176 0.512 . . . . 74.32 110.873 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -86.71 150.97 23.8 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.309 -0.997 . . . . 62.02 108.309 167.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p -107.58 134.64 48.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.251 0.548 . . . . 64.51 111.929 -170.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -123.33 123.57 41.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.471 -0.786 . . . . 73.23 109.915 173.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -90.36 114.62 26.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.011 0.434 . . . . 70.54 109.993 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -116.19 -171.15 16.05 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.84 -0.695 . . . . 73.33 113.032 -175.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -83.84 -18.5 37.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.884 0.374 . . . . 64.13 110.914 -176.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.775 ' HA ' ' HE ' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -91.56 -37.75 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.109 0.481 . . . . 73.4 109.977 177.408 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.5 -170.29 38.04 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.539 -0.755 . . . . 54.35 111.262 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -70.42 114.47 3.82 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.382 2.055 . . . . 74.14 111.903 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -95.97 136.96 35.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.452 . . . . 73.24 110.454 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.487 ' HB3' HG22 ' A' ' 28' ' ' VAL . . . -89.28 115.0 26.44 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.98 -0.748 . . . . 73.1 108.98 174.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.569 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -121.71 164.86 16.68 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.002 -0.544 . . . . 52.54 110.152 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.0 m120 51.92 90.68 0.02 OUTLIER 'General case' 0 C--O 1.242 0.67 0 O-C-N 123.43 0.456 . . . . 61.04 111.171 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.73 HG22 ' CE2' ' A' ' 49' ' ' PHE . 44.1 t -75.53 113.18 14.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 70.13 111.289 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.52 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 36.4 tt0 -106.37 135.95 46.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.254 -0.647 . . . . 62.22 109.254 175.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.467 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 13.4 tptm -86.64 148.77 25.32 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 121.044 -0.262 . . . . 72.22 110.495 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.667 -0.682 . . . . 74.13 110.07 179.264 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 26.3 mm-40 . . . . . 0 N--CA 1.446 -0.638 0 N-CA-C 109.499 -0.556 . . . . 72.54 109.499 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -114.02 143.68 44.35 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.834 -0.621 . . . . 41.1 109.797 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . 176.96 -176.46 48.06 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.594 -0.812 . . . . 74.33 112.195 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.9 m -91.04 132.55 35.94 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.838 0.351 . . . . 75.43 110.593 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 50.4 t -68.27 110.77 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.358 -0.608 . . . . 65.44 109.358 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -68.93 -61.97 1.58 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.387 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.9 t90 -178.46 140.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 74.21 109.553 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.901 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 17.6 p90 -99.34 113.69 26.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.206 0.527 . . . . 72.22 110.283 178.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -73.52 83.59 1.51 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.803 0.811 . . . . 61.32 110.959 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.49 -12.06 28.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.98 -1.009 . . . . 73.43 110.966 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -54.71 -44.87 73.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.738 -0.665 . . . . 63.31 110.405 174.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.73 -3.21 13.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 62.31 110.576 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.13 47.64 6.42 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.666 -0.697 . . . . 51.34 112.43 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -137.04 -165.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.493 -0.558 . . . . 70.25 109.493 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.901 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -157.73 161.73 31.6 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.8 -0.714 . . . . 55.42 112.034 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -129.23 133.9 47.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.932 0.396 . . . . 73.34 110.321 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.545 HG13 HG21 ' A' ' 28' ' ' VAL . 70.2 mt -129.83 145.84 35.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.232 -0.655 . . . . 61.43 109.232 176.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.415 ' O ' ' HA3' ' A' ' 4' ' ' GLY . 27.1 tt0 -111.69 119.06 37.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.752 0.31 . . . . 75.31 110.365 -176.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -90.03 157.63 17.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.892 0.377 . . . . 63.1 110.615 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.98 -13.47 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.824 0.821 . . . . 75.23 108.861 169.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -112.57 18.71 18.16 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.855 -1.066 . . . . 65.01 110.368 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.5 108.44 0.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.217 -0.992 . . . . 43.34 112.642 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.44 143.9 46.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.841 0.353 . . . . 53.41 111.599 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.9 t70 63.94 99.4 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.179 -0.918 . . . . 72.13 112.57 175.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.1 t -120.36 134.63 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.676 -0.693 . . . . 71.41 110.185 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -81.8 106.09 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 73.31 110.626 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.545 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 62.0 t -88.43 132.01 34.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.063 -0.517 . . . . 71.23 111.056 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -118.94 177.75 4.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.899 -0.591 . . . . 54.3 109.968 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' HA ' HD13 ' A' ' 33' ' ' ILE . 50.6 p90 -67.27 -12.06 59.13 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.715 0.293 . . . . 61.23 111.486 -177.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 p -76.43 -15.87 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.093 0.473 . . . . 54.13 111.13 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.478 ' HB1' HG23 ' A' ' 63' ' ' VAL . . . -83.61 -29.67 27.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 72.12 110.694 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 30' ' ' PHE . 1.8 mp -62.63 136.95 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 73.42 110.299 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.444 ' H ' ' CD ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -101.43 176.77 5.13 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.807 -0.633 . . . . 71.31 110.734 -176.896 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 37' ' ' GLY . . . -78.59 -135.87 1.04 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.853 -0.689 . . . . 70.44 112.065 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 71.32 -40.02 0.47 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.255 0.622 . . . . 75.11 111.58 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 35' ' ' GLY . . . 138.2 27.13 0.31 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.793 -0.523 . . . . 61.12 111.793 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.99 161.08 15.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.246 0.546 . . . . 74.21 111.787 -175.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.28 -30.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.749 -1.114 . . . . 65.42 108.61 174.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 m -94.92 124.42 38.96 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.369 -0.832 . . . . 64.21 109.321 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.5 mt -106.63 148.03 28.81 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.784 -0.45 . . . . 71.1 109.784 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 6.2 m-20 -82.29 121.23 26.4 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.087 0.47 . . . . 74.31 110.28 -176.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.72 117.7 16.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.393 0.616 . . . . 75.41 110.179 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.45 -14.62 13.23 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.428 -0.805 . . . . 74.51 112.616 -175.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 23.9 pt20 -90.26 157.34 17.73 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.515 0.657 . . . . 74.34 110.737 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.65 135.38 40.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 73.34 110.774 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.4 m -135.49 163.8 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.338 -0.392 . . . . 53.02 110.88 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 m -119.68 134.38 55.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.409 -0.589 . . . . 75.44 109.409 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' A' ' 63' ' ' VAL . 46.4 p90 -150.38 -176.26 5.41 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 110.251 -0.277 . . . . 61.54 110.251 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -119.27 161.1 20.98 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.107 -0.637 . . . . 74.11 109.461 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 58' ' ' PRO . 8.9 p -129.82 140.55 48.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 120.305 -0.558 . . . . 70.31 111.598 -172.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -103.07 102.13 12.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.957 -0.565 . . . . 65.52 109.572 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.579 ' HG2' ' HB3' ' A' ' 58' ' ' PRO . 35.9 mt-10 -85.13 120.99 27.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.096 -0.705 . . . . 44.41 109.096 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -120.75 -154.9 9.43 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.237 -0.982 . . . . 64.21 113.438 -173.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -80.27 21.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 123.393 0.677 . . . . 75.33 112.564 -172.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -155.45 -54.27 0.09 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.947 0.403 . . . . 74.22 110.248 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.68 177.88 36.0 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.622 -0.799 . . . . 62.13 111.72 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.579 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 97.7 Cg_endo -87.67 122.32 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.041 2.494 . . . . 64.04 112.645 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -100.22 133.9 43.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.77 -0.456 . . . . 71.24 109.77 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.545 ' HB3' ' HA ' ' A' ' 28' ' ' VAL . . . -79.67 135.3 36.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.687 0.28 . . . . 62.12 111.282 -178.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.96 139.77 34.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.014 -0.539 . . . . 54.13 110.304 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.432 ' N ' ' HA ' ' A' ' 32' ' ' ALA . 3.6 t30 55.17 97.47 0.02 OUTLIER 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.819 0.818 . . . . 74.01 112.119 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.478 HG23 ' HB1' ' A' ' 32' ' ' ALA . 86.2 t -107.16 119.46 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.327 -0.851 . . . . 73.53 111.02 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -99.9 136.57 39.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.739 -0.664 . . . . 71.2 109.299 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -63.95 124.73 22.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.46 -0.336 . . . . 74.41 110.34 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.688 0 CA-C-O 118.504 -0.76 . . . . 52.05 109.553 179.305 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.622 0.249 . . . . 74.22 111.623 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -104.5 116.97 33.02 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.375 -0.602 . . . . 74.54 109.375 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.95 -177.45 20.65 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.355 -0.926 . . . . 64.34 113.018 -174.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 m -94.01 127.56 39.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.748 0.308 . . . . 23.21 111.192 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.555 ' HA ' HG12 ' A' ' 18' ' ' ILE . 48.5 t -68.15 124.75 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.34 109.931 176.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -80.23 -56.13 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.294 -0.632 . . . . 53.35 109.294 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -176.88 154.19 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.84 -0.618 . . . . 74.53 109.671 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 8.0 p90 -106.85 102.75 12.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.605 0.717 . . . . 74.42 110.807 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 10' ' ' ASN . 1.7 p30 -77.95 77.22 4.46 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.839 0.828 . . . . 63.45 110.97 -178.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.03 -15.55 62.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.127 -0.942 . . . . 70.11 110.923 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.0 -35.04 70.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.543 -0.753 . . . . 74.23 110.387 177.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -111.89 -9.42 14.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 75.1 110.385 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.89 34.97 7.96 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.971 -0.559 . . . . 51.55 112.884 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -138.11 -172.84 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.188 -0.301 . . . . 53.43 110.188 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -156.72 152.47 23.84 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.344 -0.702 . . . . 71.43 111.344 174.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -113.36 134.55 54.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.945 0.402 . . . . 72.23 110.661 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.555 HG12 ' HA ' ' A' ' 6' ' ' VAL . 57.5 mt -130.16 142.04 44.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.505 -0.77 . . . . 55.33 109.508 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -104.81 118.76 37.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.11 -0.495 . . . . 74.44 110.086 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 12.7 mmm180 -110.78 176.96 4.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.202 0.525 . . . . 65.44 111.695 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -76.6 -47.53 22.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.885 . . . . 64.11 111.626 -174.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -91.92 -16.22 26.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.115 0.483 . . . . 41.44 110.395 -176.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . -153.74 129.69 2.74 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.796 -0.716 . . . . 74.51 112.238 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -106.83 167.24 10.01 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.757 -0.46 . . . . 75.32 109.757 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 62.22 55.62 2.37 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.421 0.629 . . . . 64.52 110.28 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.28 132.89 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.736 -0.666 . . . . 73.1 110.326 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -89.3 117.42 28.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 70.43 111.126 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.544 HG12 ' HB3' ' A' ' 60' ' ' ALA . 3.1 m -106.41 149.92 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.747 -0.464 . . . . 73.44 109.747 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -126.83 140.63 52.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.499 -0.318 . . . . 63.1 110.621 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.59 ' HA ' HD13 ' A' ' 33' ' ' ILE . 89.8 t80 -53.34 -35.41 60.21 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.973 0.731 . . . . 72.33 112.973 -172.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -65.82 -10.76 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.472 0.545 . . . . 51.45 112.472 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.01 -12.62 38.07 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.053 0.454 . . . . 74.42 110.745 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 30' ' ' PHE . 2.0 mp -83.36 133.4 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 74.05 110.292 -177.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -81.74 154.63 25.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.137 -0.483 . . . . 75.23 109.926 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.95 -149.73 25.45 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.195 -1.003 . . . . 75.41 113.249 -176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t70 68.2 98.74 0.06 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.389 0.614 . . . . 74.33 110.914 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.01 -65.12 3.94 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.563 -0.744 . . . . 54.1 112.469 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.61 147.28 40.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.154 0.502 . . . . 71.12 111.403 -176.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 20.24 0.93 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.163 -0.926 . . . . 70.41 108.734 173.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -133.36 155.43 49.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.635 -1.166 . . . . 65.34 109.386 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.9 mt -110.5 134.42 52.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.612 0.244 . . . . 61.05 110.436 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 11.2 m-20 -83.27 124.25 30.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.604 -0.517 . . . . 71.14 109.604 175.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -69.41 116.52 9.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.991 -0.549 . . . . 65.35 110.354 -179.013 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.13 -13.82 31.25 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.62 -0.8 . . . . 72.42 112.71 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 16.0 pt20 -86.41 158.24 19.65 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 117.1 0.45 . . . . 73.21 110.457 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.05 136.04 33.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.97 -0.559 . . . . 61.34 110.234 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.54 161.04 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.558 -0.292 . . . . 75.54 110.65 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.54 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 9.3 m -105.89 133.89 49.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.396 -0.366 . . . . 54.34 110.275 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.641 ' CE2' HG22 ' A' ' 63' ' ' VAL . 12.3 m-85 -136.47 158.02 45.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.111 -0.495 . . . . 65.42 109.758 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -110.51 107.41 17.04 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.59 -0.522 . . . . 75.24 109.59 170.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.38 147.03 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 51.13 111.303 -172.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -136.86 117.38 13.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.402 -0.817 . . . . 73.04 110.272 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.39 109.77 9.2 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.84 -0.8 . . . . 75.34 108.84 172.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -117.74 -148.5 8.68 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.562 -0.828 . . . . 63.4 113.732 -171.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -80.17 40.16 0.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.768 0.655 . . . . 54.31 112.768 -170.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 179.33 -27.3 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.703 0.287 . . . . 65.25 111.31 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.35 -168.93 37.51 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.713 -0.756 . . . . 75.15 111.719 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.85 103.47 1.58 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.932 2.421 . . . . 71.41 112.08 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -102.38 134.1 46.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.892 -0.595 . . . . 72.34 109.765 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.544 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -97.24 128.44 44.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.042 0.448 . . . . 72.01 111.392 -177.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.01 177.41 7.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.672 -0.694 . . . . 72.01 109.45 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 55.73 90.38 0.03 OUTLIER 'General case' 0 C--O 1.239 0.532 0 O-C-N 123.567 0.542 . . . . 72.42 110.98 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.641 HG22 ' CE2' ' A' ' 49' ' ' PHE . 47.6 t -94.67 124.43 47.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.036 -0.529 . . . . 72.31 111.732 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.54 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 35.1 tt0 -121.63 132.37 54.62 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.99 -0.744 . . . . 74.15 108.99 174.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -74.57 134.73 42.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.02 0.438 . . . . 61.21 111.271 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-N 115.612 -0.722 . . . . 74.23 109.352 173.562 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.535 ' OE2' ' HD2' ' A' ' 20' ' ' ARG . 7.6 tp10 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 109.074 -0.713 . . . . 74.04 109.074 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -136.61 147.27 46.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.762 0.315 . . . . 65.51 110.691 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.556 ' HA3' ' HA ' ' A' ' 20' ' ' ARG . . . -178.2 -150.32 8.6 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.7 -0.762 . . . . 54.14 112.592 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 m -139.0 138.8 37.57 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.169 -0.308 . . . . 74.34 110.169 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.14 122.19 17.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.583 -0.28 . . . . 72.44 111.028 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' H ' ' HA ' ' A' ' 18' ' ' ILE . 10.3 tppt? -74.48 -54.73 6.97 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.63 -0.507 . . . . 74.53 109.63 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.401 ' HA ' ' HB3' ' A' ' 43' ' ' GLU . 27.1 t90 -178.61 139.44 0.18 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.28 -0.873 . . . . 75.25 109.762 173.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.446 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 51.6 t80 -100.97 97.76 8.3 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.667 -0.494 . . . . 74.24 109.667 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -69.0 81.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.746 0.784 . . . . 74.13 111.384 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.06 -14.86 53.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.256 -0.884 . . . . 54.21 111.12 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -57.19 -37.48 72.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.849 -0.614 . . . . 72.14 110.209 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -104.86 -21.83 13.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.608 -0.724 . . . . 64.33 110.402 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.12 27.41 10.95 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.84 -0.695 . . . . 74.02 111.819 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.9 -170.29 3.0 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.791 -0.818 . . . . 73.21 108.791 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 9' ' ' PHE . . . -169.21 163.91 37.54 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.197 -1.001 . . . . 45.34 112.331 176.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -112.16 135.48 52.77 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.518 -0.549 . . . . 74.34 109.518 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.593 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 57.3 mt -127.43 145.06 35.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.11 0.481 . . . . 72.44 110.286 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 51.6 tt0 -101.46 145.15 29.36 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.388 -0.823 . . . . 62.55 109.164 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.556 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 16.2 ptt180 -132.69 171.4 13.91 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.188 -0.301 . . . . 74.51 110.188 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -63.06 -19.81 64.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.095 0.474 . . . . 62.33 110.821 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -102.36 13.25 35.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.709 -0.678 . . . . 53.31 111.817 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.451 ' O ' ' HG2' ' A' ' 20' ' ' ARG . . . 133.79 165.95 11.17 Favored Glycine 0 C--O 1.223 -0.551 0 C-N-CA 120.564 -0.827 . . . . 63.31 112.609 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.525 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 19.8 p-10 -95.86 56.73 1.75 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.472 0.653 . . . . 74.02 110.878 -179.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -140.66 81.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.539 0.685 . . . . 50.34 111.745 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.593 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 84.2 t -133.99 120.2 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.498 -0.774 . . . . 74.32 109.761 171.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -95.74 107.23 19.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.943 0.402 . . . . 73.54 110.729 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -99.55 150.08 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.292 -0.413 . . . . 54.11 110.883 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -144.37 164.83 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.553 . . . . 74.11 109.969 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -51.96 -40.58 61.08 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.272 0.842 . . . . 74.13 113.272 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -63.9 -3.01 2.15 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.033 0.753 . . . . 72.04 113.033 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -97.97 -15.59 20.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.681 0.277 . . . . 70.1 111.627 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.7 mp -87.93 141.94 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.014 -0.539 . . . . 74.2 110.896 -173.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.423 HE22 ' HB ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -117.51 -169.6 1.7 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 55.35 109.924 -179.666 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.89 89.16 0.56 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.28 -0.962 . . . . 21.15 111.833 174.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -100.3 -43.13 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.52 0.676 . . . . 72.52 110.22 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.36 -36.97 0.86 Allowed Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 109.825 -1.31 . . . . 15.41 109.825 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -106.18 168.52 9.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.149 -0.685 . . . . 75.43 109.149 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.64 13.76 24.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.347 0.594 . . . . 72.43 110.65 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 p -156.21 178.53 10.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.399 -0.819 . . . . 74.13 109.545 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -107.51 129.11 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.991 0.424 . . . . 74.33 110.829 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 2.9 m-20 -92.96 131.29 38.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.498 0.666 . . . . 73.43 111.35 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . 2.6 pm0 -57.88 131.41 50.3 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.942 -1.026 . . . . 73.2 110.629 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.5 -24.75 14.83 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.374 -0.917 . . . . 61.34 112.935 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.535 ' OE1' ' HE3' ' A' ' 65' ' ' LYS . 28.2 pt20 -81.0 142.01 33.84 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.024 -0.671 . . . . 72.54 110.763 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.69 135.38 39.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 62.25 110.099 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.0 m -143.47 167.48 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.269 0.556 . . . . 73.51 111.28 -177.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.605 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 24.8 m -108.26 139.47 42.91 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.205 -1.035 . . . . 72.01 108.205 171.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.537 ' CZ ' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -141.02 145.59 36.11 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 121.128 -0.229 . . . . 71.12 110.633 -170.234 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -96.97 156.58 16.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.377 -0.971 . . . . 71.31 108.377 169.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.75 131.52 62.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.473 0.654 . . . . 51.14 112.429 -171.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -119.07 103.21 9.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.11 -0.95 . . . . 63.2 109.055 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.652 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 67.9 mt-10 -71.97 123.18 22.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.032 0.444 . . . . 73.31 110.488 -177.023 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.3 -148.19 10.11 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.522 -0.763 . . . . 61.11 112.422 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -76.04 -34.56 59.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.809 0.338 . . . . 74.12 111.155 -174.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.45 23.46 1.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 72.01 111.712 -176.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.462 ' HA2' ' HD3' ' A' ' 58' ' ' PRO . . . -173.9 138.27 4.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.147 -1.025 . . . . 62.0 112.796 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.652 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 7.0 Cg_exo -73.1 106.32 2.13 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 123.117 2.545 . . . . 62.22 111.924 176.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -98.64 134.45 41.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.988 0.423 . . . . 74.11 110.112 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 49' ' ' PHE . . . -95.78 146.41 24.56 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.14 -0.482 . . . . 61.0 111.745 -173.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.2 158.42 43.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.377 -0.829 . . . . 61.45 109.533 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 63.1 90.64 0.08 Allowed 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.315 0.384 . . . . 51.31 110.66 -176.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.537 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 62.0 t -83.21 138.3 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.318 -0.401 . . . . 74.41 110.242 173.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.605 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 34.8 tt0 -123.5 125.28 44.62 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.69 -0.856 . . . . 71.21 108.69 169.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HE3' ' OE1' ' A' ' 45' ' ' GLN . 21.1 tptm -77.39 133.23 38.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 73.13 110.427 -175.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.298 -0.858 . . . . 74.4 110.202 179.802 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.481 ' OE2' ' HB3' ' A' ' 20' ' ' ARG . 33.1 tt0 . . . . . 0 N--CA 1.458 -0.07 0 N-CA-C 108.265 -1.013 . . . . 74.32 108.265 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -87.05 125.58 34.2 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.723 -0.391 . . . . 63.41 110.432 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.33 162.52 13.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.879 -0.677 . . . . 61.53 112.195 -177.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.8 m -117.12 126.12 52.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.617 0.246 . . . . 72.02 110.447 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.592 ' HA ' HG12 ' A' ' 18' ' ' ILE . 64.0 t -66.68 121.11 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 62.33 110.964 -177.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.86 -62.03 1.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.582 -0.281 . . . . 51.53 110.404 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -172.71 142.05 1.14 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.254 -0.43 . . . . 72.52 110.308 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.454 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 44.3 m-85 -101.69 107.21 18.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.358 -0.383 . . . . 74.31 110.688 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -73.31 77.5 1.34 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 122.393 1.092 . . . . 73.14 109.905 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.61 -11.21 42.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.61 -1.177 . . . . 60.53 111.798 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.48 -38.9 78.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.544 . . . . 60.24 110.359 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -110.76 -7.79 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.06 0.457 . . . . 75.33 110.441 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.68 44.21 5.86 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.763 -0.732 . . . . 72.1 112.487 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -138.99 -169.56 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.52 -0.548 . . . . 61.4 109.52 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -167.37 167.13 39.72 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.479 -0.867 . . . . 50.31 112.221 175.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -120.17 135.23 55.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.658 -0.497 . . . . 74.23 109.658 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.761 HD12 ' HE2' ' A' ' 49' ' ' PHE . 27.8 mt -133.92 144.38 35.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.11 -0.496 . . . . 74.23 109.692 177.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -100.59 150.23 22.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.625 -0.261 . . . . 73.22 110.513 -174.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.503 ' HD2' HG21 ' A' ' 51' ' ' VAL . 74.2 mtp180 -116.61 174.01 6.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.994 0.426 . . . . 75.34 110.756 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -84.91 -36.51 21.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.654 -0.703 . . . . 73.12 109.414 171.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -103.7 5.17 36.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.78 -0.645 . . . . 62.53 111.566 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . -157.28 160.76 30.75 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.638 -0.792 . . . . 72.24 112.459 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -119.73 152.36 37.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.916 -0.167 . . . . 60.43 110.725 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.7 t70 46.92 79.56 0.06 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 124.355 1.035 . . . . 64.33 112.313 172.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -104.85 137.12 35.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.048 -0.524 . . . . 61.32 110.225 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -84.05 116.86 23.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.414 0.626 . . . . 74.43 111.054 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.595 HG23 ' HZ ' ' A' ' 49' ' ' PHE . 7.7 p -108.45 145.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.545 -0.752 . . . . 65.43 109.872 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -139.07 167.27 22.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.681 -0.691 . . . . 71.32 109.767 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.581 ' HA ' HD13 ' A' ' 33' ' ' ILE . 95.4 m-85 -67.36 -8.53 33.41 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.999 0.37 . . . . 73.14 111.999 -172.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -66.88 -21.43 66.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.135 0.493 . . . . 75.4 110.238 173.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . . . -89.28 -19.42 25.36 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.753 -0.658 . . . . 70.35 110.967 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.581 HD13 ' HA ' ' A' ' 30' ' ' PHE . 1.7 mp -72.77 133.48 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.605 -0.725 . . . . 73.41 110.681 -177.135 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.82 -175.49 5.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.697 -0.683 . . . . 70.51 111.477 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.25 -129.45 4.02 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.873 -0.679 . . . . 62.22 112.691 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.18 127.5 32.43 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.21 0.529 . . . . 74.42 111.352 -176.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.37 -84.77 0.17 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.235 -0.746 . . . . 71.24 111.235 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -151.93 85.22 1.29 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.089 -0.708 . . . . 75.43 109.089 174.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.75 4.87 53.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.441 -0.799 . . . . 75.05 111.957 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 m -110.05 137.18 48.17 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.493 -0.558 . . . . 74.13 109.493 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.421 HD12 ' CZ ' ' A' ' 9' ' ' PHE . 89.0 mt -119.31 129.41 54.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.865 0.364 . . . . 75.33 111.127 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.16 140.96 30.11 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 115.752 -0.658 . . . . 71.22 111.012 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HG3' ' H ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -62.96 134.64 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 63.4 111.091 -179.437 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.62 -10.9 62.93 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 120.51 -0.852 . . . . 54.44 113.142 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.529 ' NE2' ' HE2' ' A' ' 65' ' ' LYS . 1.7 pt20 -91.17 153.25 20.16 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 117.824 0.812 . . . . 60.32 110.676 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -101.52 143.01 32.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.97 -0.559 . . . . 74.43 110.812 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.01 158.55 13.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.965 -0.561 . . . . 70.3 109.675 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.634 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 11.9 m -84.49 134.38 34.44 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.61 -0.885 . . . . 74.21 108.61 173.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.761 ' HE2' HD12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -136.28 145.07 45.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.785 0.326 . . . . 75.11 110.755 -170.388 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -101.14 103.75 14.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.372 0.606 . . . . 52.02 109.888 172.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.503 HG21 ' HD2' ' A' ' 20' ' ' ARG . 6.5 p -106.73 140.32 25.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.828 -0.624 . . . . 74.24 111.174 -173.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -135.09 157.42 46.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.684 -0.689 . . . . 72.22 109.892 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -96.11 110.05 22.38 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.026 -0.731 . . . . 65.42 109.026 176.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -99.99 -147.91 21.94 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.652 -0.785 . . . . 51.45 112.936 -172.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -69.99 95.24 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.607 -0.296 . . . . 74.03 110.66 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 56' ' ' ARG . 22.6 ttm-85 76.77 -42.88 0.44 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.291 -0.868 . . . . 63.55 111.761 177.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.84 152.38 18.02 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.671 -0.776 . . . . 70.02 112.879 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.17 128.97 15.41 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.939 2.426 . . . . 60.42 111.759 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -120.15 142.38 49.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.202 -0.454 . . . . 63.34 109.893 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -124.37 145.56 49.38 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.257 -0.577 . . . . 73.05 112.325 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.565 ' HA ' ' HB2' ' A' ' 32' ' ' ALA . . . -139.86 169.77 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.296 -0.865 . . . . 61.04 109.428 177.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 60.38 94.23 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.45 0.3 . . . . 63.11 111.689 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.61 115.38 43.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 C-N-CA 120.041 -0.664 . . . . 75.43 110.479 173.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.634 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 55.0 tt0 -103.98 124.43 49.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.158 -0.682 . . . . 65.43 109.158 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.529 ' HE2' ' NE2' ' A' ' 45' ' ' GLN . 27.4 tptp -69.79 127.91 34.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.106 0.479 . . . . 74.21 111.695 -175.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.71 -0.677 . . . . 45.02 109.178 171.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.637 0.256 . . . . 74.34 110.344 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.411 HE21 ' HB1' ' A' ' 46' ' ' ALA . 54.0 tp60 -102.52 117.15 34.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.651 -0.499 . . . . 75.24 109.651 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.59 -174.64 17.02 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.266 -0.969 . . . . 61.21 113.235 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.6 m -118.07 132.38 56.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.625 0.25 . . . . 72.31 110.496 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -70.68 125.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.391 . . . . 73.15 110.368 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 43' ' ' GLU . 21.3 ttmm -81.3 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.886 -0.413 . . . . 72.34 109.886 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 21.2 t90 178.74 151.29 0.3 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.856 -0.611 . . . . 72.45 109.769 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.802 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 6.2 p90 -116.18 90.54 3.36 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 120.763 0.316 . . . . 64.13 110.458 178.053 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.47 90.77 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.211 0.529 . . . . 42.32 111.159 -156.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.25 -24.05 0.66 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 115.095 1.517 . . . . 70.23 115.095 -172.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.36 -27.46 67.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.164 0.507 . . . . 72.42 110.038 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 7.3 mmpt? -117.9 -20.38 8.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.302 -0.863 . . . . 72.1 109.642 170.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.1 72.94 0.92 Allowed Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.599 -0.728 . . . . 51.1 111.35 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 19.5 m-85 -156.29 122.83 5.12 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 120.036 -0.666 . . . . 73.05 111.778 -168.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.802 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -92.1 147.33 18.67 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.166 -1.016 . . . . 52.25 113.714 -167.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 69.3 m-85 -128.82 134.58 48.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.149 -0.526 . . . . 70.13 109.694 170.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.629 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 56.7 mt -107.49 147.3 12.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-N 115.545 -0.752 . . . . 74.31 109.304 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.813 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 25.9 tt0 -106.61 119.61 39.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.878 -0.601 . . . . 73.42 109.948 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.58 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -132.91 -176.37 4.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.15 0.5 . . . . 64.13 112.033 -176.405 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.3 -21.16 62.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.239 -0.891 . . . . 74.23 111.127 -177.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -103.23 13.24 34.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.301 -0.409 . . . . 64.32 110.453 -175.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.73 166.49 11.34 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.94 -0.648 . . . . 73.54 111.995 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.813 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 13.2 p-10 -120.88 56.73 1.0 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.687 0.756 . . . . 73.42 110.935 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -147.77 44.61 1.1 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.442 -0.799 . . . . 71.34 110.013 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 44.3 t -84.3 115.0 25.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 71.24 109.856 178.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -73.87 112.56 10.11 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.717 -0.674 . . . . 74.35 112.126 -173.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.532 ' HB ' ' HA3' ' A' ' 16' ' ' GLY . 47.1 t -94.14 110.69 23.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.059 -0.519 . . . . 74.22 110.046 175.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -100.32 141.95 32.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.756 -0.656 . . . . 74.44 110.451 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' O ' HG22 ' A' ' 33' ' ' ILE . 38.2 p90 -71.5 -1.02 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.9 -0.591 . . . . 74.22 112.476 -173.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.3 p -84.14 -3.58 58.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.891 0.377 . . . . 70.41 111.271 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -124.98 8.12 8.04 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 116.321 -0.399 . . . . 43.01 111.734 -177.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.677 HD12 HG21 ' A' ' 63' ' ' VAL . 8.4 tp -91.55 137.41 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 51.34 111.089 -176.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -138.43 148.18 44.13 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.808 -0.812 . . . . 74.03 108.808 172.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.71 173.89 30.16 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.417 -0.896 . . . . 64.12 112.404 -176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -81.07 -46.2 15.35 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.326 -0.62 . . . . 74.54 109.326 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.52 30.76 0.47 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.76 -0.936 . . . . 72.55 110.76 176.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -136.97 168.51 19.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.287 -0.456 . . . . 74.54 109.981 -175.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.439 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -133.41 10.19 4.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.024 -0.732 . . . . 54.34 109.024 173.619 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 m -118.26 160.62 21.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.172 -0.922 . . . . 55.43 110.454 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -117.91 144.35 45.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.042 -0.526 . . . . 72.04 109.743 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -82.61 126.66 32.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.963 0.411 . . . . 75.15 110.221 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -71.47 118.88 14.84 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.419 -0.586 . . . . 54.22 109.419 178.667 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.79 -7.16 41.6 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.681 -0.771 . . . . 51.01 112.754 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -82.52 147.93 28.38 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.197 0.499 . . . . 73.23 110.274 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -93.1 127.38 38.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.967 -0.56 . . . . 73.33 109.769 176.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.446 HG12 ' HD2' ' A' ' 65' ' ' LYS . 2.4 m -146.17 164.03 9.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.88 0.371 . . . . 54.05 110.96 -177.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.6 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 7.9 m -103.87 135.62 45.06 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.667 -0.697 . . . . 71.34 110.138 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.736 ' CE2' HG22 ' A' ' 63' ' ' VAL . 27.8 m-85 -135.65 142.38 45.16 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.43 -0.581 . . . . 74.53 109.43 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -87.04 103.86 15.77 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.901 -0.777 . . . . 75.35 108.901 173.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.67 138.76 18.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.769 -0.65 . . . . 72.13 111.727 -170.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.769 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 30.6 mt-10 -120.72 150.79 40.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.432 -0.803 . . . . 75.45 109.18 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -92.25 109.72 21.1 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.976 -0.75 . . . . 74.0 108.976 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.55 -171.87 45.26 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.639 -0.791 . . . . 41.41 112.722 -174.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -78.3 -22.46 48.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.025 0.44 . . . . 72.21 110.906 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 56' ' ' ARG . 11.3 mmt180 -108.31 -33.42 7.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 73.31 111.121 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.62 -170.85 43.93 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 111.258 -0.737 . . . . 72.43 111.258 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -65.86 119.51 6.54 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.799 2.333 . . . . 64.33 112.037 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.769 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 10.6 pt20 -106.63 136.23 46.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.972 0.415 . . . . 72.43 110.41 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.516 ' HB1' ' CD2' ' A' ' 49' ' ' PHE . . . -98.84 123.54 43.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 65.2 111.297 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . . . -126.83 163.96 22.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.013 -0.54 . . . . 72.24 109.789 176.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.4 m120 52.71 88.96 0.03 OUTLIER 'General case' 0 C--O 1.239 0.52 0 O-C-N 123.619 0.574 . . . . 73.52 111.428 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.736 HG22 ' CE2' ' A' ' 49' ' ' PHE . 47.2 t -79.67 123.52 36.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.066 -0.516 . . . . 72.3 110.771 176.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.6 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 58.5 tt0 -122.89 125.87 46.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.585 -0.524 . . . . 75.13 109.585 175.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HD2' HG12 ' A' ' 47' ' ' VAL . 27.7 tptp -74.05 126.05 29.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.864 0.364 . . . . 65.03 111.712 -175.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.253 1.273 0 CA-C-O 118.29 -0.862 . . . . 71.34 109.423 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.641 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 69.0 mm-40 . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 120.776 0.322 . . . . 75.32 110.491 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.511 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 35.8 tt0 -115.59 127.62 55.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.32 -0.4 . . . . 72.2 110.37 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . -158.03 172.55 35.18 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.804 -0.713 . . . . 72.4 112.106 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 93.6 m -90.98 138.39 31.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.042 0.448 . . . . 71.52 110.936 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.71 123.41 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.828 -0.624 . . . . 55.05 110.338 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 13.8 tppt? -74.91 -57.08 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 70.41 110.065 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -174.95 142.35 0.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.372 -0.603 . . . . 75.23 109.372 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -102.37 97.1 7.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.895 0.379 . . . . 73.35 110.571 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -76.15 79.61 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.672 0.749 . . . . 72.12 111.197 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.02 -20.64 66.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.199 -0.909 . . . . 63.22 110.951 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -54.62 -43.85 72.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.324 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.91 -21.92 21.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 74.11 110.147 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.48 35.68 7.83 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.721 -0.672 . . . . 53.15 111.506 -177.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -144.18 -169.68 3.18 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.832 -0.433 . . . . 75.12 109.832 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.6 160.55 30.0 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.845 -0.693 . . . . 74.15 111.761 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.455 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 69.8 m-85 -111.37 133.91 53.34 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.749 -0.463 . . . . 60.34 109.749 178.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.2 mt -131.11 150.57 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.756 -0.656 . . . . 63.01 109.661 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 2.6 tt0 -98.99 144.91 27.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.943 0.401 . . . . 70.41 110.698 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 50.5 mtp180 -131.8 168.54 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.907 -0.588 . . . . 64.13 109.84 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.99 -27.56 68.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.714 -0.675 . . . . 72.34 110.372 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -96.72 13.23 29.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.738 -0.665 . . . . 54.43 111.236 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.25 148.07 5.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.493 -0.86 . . . . 74.5 112.506 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.682 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 17.0 p-10 -103.93 57.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.421 0.629 . . . . 74.31 111.141 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -131.93 32.35 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.708 -0.678 . . . . 60.4 110.514 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.1 t -87.03 124.83 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.911 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.21 113.79 25.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.107 -0.497 . . . . 71.42 110.666 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.7 p -91.73 143.78 10.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 C-N-CA 120.79 -0.364 . . . . 74.5 110.038 177.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 7.9 p80 -124.82 164.45 20.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.811 -0.631 . . . . 73.0 109.844 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.543 ' HA ' HD13 ' A' ' 33' ' ' ILE . 61.1 m-85 -59.86 -24.37 64.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.584 0.957 . . . . 73.25 113.584 -169.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.481 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.5 m -59.73 -32.72 70.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.943 0.401 . . . . 71.45 110.808 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HB1' HG23 ' A' ' 63' ' ' VAL . . . -80.14 -19.85 46.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.52 110.852 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' A' ' 30' ' ' PHE . 1.7 mp -69.52 140.22 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.487 -0.779 . . . . 54.01 110.861 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.41 -164.41 1.94 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.961 -0.563 . . . . 72.22 110.155 177.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.04 -127.46 4.48 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.663 -0.78 . . . . 74.44 114.278 -170.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 83.15 -72.5 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.469 1.108 . . . . 72.11 110.954 -178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.61 -62.62 0.36 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.703 -0.76 . . . . 72.13 111.928 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -138.77 156.56 47.26 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.532 -0.544 . . . . 75.24 109.532 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.51 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -86.19 -8.78 57.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.613 0.721 . . . . 75.11 109.436 175.012 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 p -85.98 160.96 19.21 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.412 -0.813 . . . . 62.31 108.858 170.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.0 tp -105.99 128.34 53.76 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.584 -0.524 . . . . 61.5 109.584 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 15.6 m-20 -84.58 121.55 27.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.397 0.618 . . . . 52.5 111.897 -172.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 1.0 OUTLIER -67.45 122.51 18.11 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.182 -0.917 . . . . 75.22 109.597 179.21 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.23 -9.41 45.98 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.327 -0.94 . . . . 65.33 113.394 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 2.6 pt20 -88.86 155.95 19.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.728 0.764 . . . . 74.11 110.183 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -104.48 120.03 40.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.646 -0.501 . . . . 55.35 109.646 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.0 m -128.65 148.22 33.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.251 0.548 . . . . 75.43 111.045 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.587 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 5.0 m -92.83 154.88 17.99 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.901 -1.148 . . . . 63.34 107.901 172.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -163.91 174.64 11.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 118.053 0.388 . . . . 75.43 110.871 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 24.3 t70 -95.38 137.24 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.572 -0.74 . . . . 73.52 109.569 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.641 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 7.2 p -95.9 126.25 48.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.204 0.526 . . . . 74.05 111.487 -175.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 1.01 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 35.5 mt-10 -108.05 117.72 34.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.909 -0.587 . . . . 53.11 109.609 174.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.38 108.29 8.07 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.281 -1.007 . . . . 75.3 108.281 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.36 -160.36 36.39 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.9 -0.666 . . . . 74.13 113.042 -171.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -68.67 -33.01 73.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.626 -0.287 . . . . 75.14 111.545 -175.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -148.58 16.86 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.774 -0.37 . . . . 55.24 111.911 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.71 177.26 46.39 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.203 -0.999 . . . . 22.2 112.353 -178.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -87.65 127.76 2.37 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.924 2.416 . . . . 64.33 112.872 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 1.01 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 12.9 pt20 -119.18 159.18 24.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.008 -0.542 . . . . 73.04 110.043 176.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.93 126.18 51.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.131 0.419 . . . . 71.02 112.131 -173.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 50' ' ' ASP . . . -100.18 -178.96 3.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.43 -0.805 . . . . 63.22 109.355 173.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 20.3 p-10 -23.96 126.57 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.282 1.216 . . . . 72.43 114.282 -168.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.55 HG23 ' HB1' ' A' ' 32' ' ' ALA . 95.4 t -95.8 138.65 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.716 -1.129 . . . . 71.11 111.734 -176.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.587 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 35.1 tt0 -110.38 139.32 45.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.422 -0.808 . . . . 71.44 109.06 173.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 147.18 26.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.008 0.432 . . . . 51.01 111.738 -172.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.383 -0.818 . . . . 54.54 109.767 177.418 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.605 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 1.9 pm0 . . . . . 0 N--CA 1.451 -0.378 0 CA-C-O 121.477 0.656 . . . . 73.44 110.486 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.579 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 33.1 tt0 -100.94 131.81 46.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.066 -0.97 . . . . 74.3 110.126 -177.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.5 168.29 31.54 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.518 -0.849 . . . . 42.21 112.227 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 49.4 m -90.41 128.73 36.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.726 0.298 . . . . 74.51 110.461 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.408 ' HA ' HG12 ' A' ' 18' ' ' ILE . 44.1 t -73.07 104.88 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.475 -0.565 . . . . 73.45 109.475 176.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -70.7 -38.27 73.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.93 0.395 . . . . 64.03 110.205 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.503 ' CZ3' ' HB3' ' A' ' 10' ' ' ASN . 9.3 t90 -156.81 151.4 25.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.13 -0.486 . . . . 64.22 109.871 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -130.63 98.06 4.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 74.2 110.332 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.658 HD22 ' HG3' ' A' ' 13' ' ' LYS . 4.6 p-10 -82.81 76.66 9.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.682 0.753 . . . . 73.22 110.358 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.03 -27.41 68.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.042 -0.981 . . . . 73.31 111.478 -176.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.99 -36.66 82.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.964 0.411 . . . . 74.12 110.147 176.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.658 ' HG3' HD22 ' A' ' 10' ' ' ASN . 10.1 mmpt? -82.92 -24.24 33.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.412 -0.588 . . . . 74.22 109.412 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.24 26.39 16.16 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.265 -0.88 . . . . 54.32 111.546 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -139.31 -176.32 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.063 0.459 . . . . 60.52 110.941 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -154.21 163.0 30.87 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.869 -0.892 . . . . 64.41 110.869 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -122.01 132.86 54.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.124 0.462 . . . . 72.12 110.384 177.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.503 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 46.5 mt -121.88 144.77 30.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.806 -0.634 . . . . 65.05 109.991 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.853 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 15.8 pt-20 -100.27 121.41 41.43 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.033 -0.53 . . . . 73.11 109.636 177.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -124.49 -175.16 3.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.892 -0.595 . . . . 73.21 111.348 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -67.88 -27.12 66.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.888 -1.051 . . . . 63.44 111.589 -174.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -89.11 -21.62 23.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.072 0.463 . . . . 63.14 110.766 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.98 168.6 21.26 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.918 -0.658 . . . . 63.52 111.816 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.853 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.5 p-10 -105.62 56.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.716 0.77 . . . . 70.44 110.734 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -135.48 32.46 3.07 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.383 -0.826 . . . . 53.13 110.368 -178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.503 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 46.5 t -84.67 112.0 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.098 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -76.18 117.19 17.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.763 -0.653 . . . . 74.41 112.012 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -89.99 135.55 26.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.99 -0.55 . . . . 64.51 109.896 175.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 67.7 m80 -102.92 131.88 49.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.877 -0.416 . . . . 70.41 109.877 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.447 ' HA ' HD13 ' A' ' 33' ' ' ILE . 19.6 p90 -59.38 -27.61 66.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.185 0.517 . . . . 73.41 110.413 177.019 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 t -74.08 -5.26 40.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.794 -0.639 . . . . 61.21 110.927 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.68 -18.93 18.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.545 -0.298 . . . . 60.01 111.276 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.475 HG13 HG21 ' A' ' 63' ' ' VAL . 2.2 mp -76.65 123.83 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 74.05 110.698 -177.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -75.41 119.16 19.12 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.968 -0.753 . . . . 73.21 108.968 171.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.54 -135.77 4.25 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.921 -0.657 . . . . 72.12 112.932 -172.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 70.65 -75.79 0.07 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.455 0.702 . . . . 70.32 110.402 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.81 -52.98 6.65 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.119 -0.563 . . . . 75.32 111.969 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -130.32 118.95 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.833 0.349 . . . . 71.31 110.668 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -96.55 10.61 37.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.062 -0.517 . . . . 75.41 110.949 177.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.0 t -153.57 154.86 35.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.047 -0.524 . . . . 62.5 110.016 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -107.68 134.17 51.04 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.613 -0.514 . . . . 53.35 109.613 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 6.6 m-20 -83.2 122.89 29.0 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.227 -0.442 . . . . 71.31 110.184 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.8 136.71 58.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.435 0.636 . . . . 71.21 110.533 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.31 -21.41 33.18 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.399 -0.819 . . . . 55.31 112.556 -177.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 2.3 pt20 -88.55 154.94 19.93 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 117.374 0.587 . . . . 73.41 110.798 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -96.04 132.87 40.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.892 -0.594 . . . . 61.1 110.158 177.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.0 m -137.68 159.82 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.463 -0.335 . . . . 73.24 110.497 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.592 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 3.8 m -105.41 146.08 29.95 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.432 -0.349 . . . . 75.13 110.381 -177.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CE2' HG22 ' A' ' 63' ' ' VAL . 29.3 m-85 -136.98 171.51 14.39 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 121.127 0.489 . . . . 70.1 111.587 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -102.82 133.44 47.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.699 -1.137 . . . . 74.25 108.706 166.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.605 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 8.0 p -90.59 142.58 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.211 0.529 . . . . 75.13 112.337 -172.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.485 ' HG3' ' HG3' ' A' ' 59' ' ' GLN . 5.4 pt-20 -145.32 151.47 38.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.775 -0.648 . . . . 74.02 110.169 173.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -95.2 124.86 39.46 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.631 -0.507 . . . . 63.41 109.631 173.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.07 -167.76 28.09 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.453 -0.88 . . . . 64.45 112.623 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -82.05 3.75 25.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.142 0.496 . . . . 73.45 110.802 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.561 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 4.1 mmp_? -122.44 -56.41 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.926 -0.579 . . . . 65.31 110.653 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.63 -157.24 13.12 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.817 -0.706 . . . . 34.22 111.753 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -67.39 115.38 3.66 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.657 2.238 . . . . 71.12 111.539 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.485 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 12.5 pt20 -128.42 159.45 35.35 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.28 -0.418 . . . . 75.13 110.06 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.84 143.02 47.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.187 0.518 . . . . 70.24 111.95 -173.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.62 166.8 23.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.395 -0.82 . . . . 61.24 109.468 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.3 m120 59.04 99.68 0.02 OUTLIER 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.106 0.479 . . . . 65.04 110.741 -176.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.696 HG22 ' CE2' ' A' ' 49' ' ' PHE . 47.9 t -89.97 132.8 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.669 -0.696 . . . . 52.44 111.451 -178.019 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.592 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 53.7 tt0 -121.36 124.55 44.83 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.598 -0.89 . . . . 72.05 108.598 171.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -75.8 127.83 33.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.18 0.514 . . . . 70.23 111.884 -173.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.592 -0.731 . . . . 75.12 109.107 172.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 111.486 0.18 . . . . 72.24 111.486 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.642 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 51.9 mm-40 -86.59 72.56 10.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.828 0.823 . . . . 52.14 110.184 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -97.57 142.65 29.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.836 -1.074 . . . . 74.53 109.187 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.15 176.41 45.19 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.211 -0.995 . . . . 62.44 112.501 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.6 m -99.57 134.83 41.88 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.147 -0.316 . . . . 62.31 110.147 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.16 114.86 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.52 -0.548 . . . . 65.32 109.52 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -70.37 -59.22 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 51.53 109.994 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.5 t90 -172.59 158.35 4.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 74.54 109.655 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.609 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 11.4 p90 -123.82 111.89 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.322 0.582 . . . . 73.22 110.949 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -79.21 87.72 4.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.935 0.874 . . . . 55.24 109.829 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.43 -14.32 49.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.014 -0.993 . . . . 41.33 111.68 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -57.34 -45.38 84.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.877 0.37 . . . . 75.24 110.058 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -93.98 -39.56 10.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.04 0.448 . . . . 71.51 109.825 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.39 29.3 4.54 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.639 -0.709 . . . . 45.52 111.49 -176.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -121.36 143.89 48.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.794 0.33 . . . . 74.12 110.423 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.609 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -113.23 146.57 18.47 Favored Glycine 0 N--CA 1.44 -1.074 0 C-N-CA 120.396 -0.907 . . . . 43.32 111.253 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.38 133.35 53.75 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.01 0.433 . . . . 73.52 109.906 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.23 144.86 28.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.379 -0.828 . . . . 60.34 109.134 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 29.0 tt0 -100.39 127.09 46.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.231 0.539 . . . . 64.44 111.264 -172.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.61 ' NH2' ' HB3' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -125.04 161.31 27.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.364 -0.835 . . . . 74.33 109.259 176.578 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.531 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 26.1 tt0 -62.42 -45.33 93.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.089 0.471 . . . . 71.52 109.826 174.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.07 -21.79 60.71 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.72 -0.673 . . . . 43.02 111.804 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.63 119.91 0.75 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.326 -0.94 . . . . 31.4 112.392 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.526 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 15.5 p-10 -98.88 55.47 1.03 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.558 0.695 . . . . 71.44 110.537 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -164.17 44.29 0.1 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.37 -0.832 . . . . 74.34 110.299 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.71 118.77 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.747 -0.661 . . . . 75.41 110.012 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -78.02 103.58 8.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.631 -0.713 . . . . 73.15 111.114 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 11.4 p -97.66 134.78 34.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.537 -0.542 . . . . 73.34 109.537 175.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -136.85 151.66 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.343 -0.39 . . . . 72.22 110.433 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -74.38 9.92 1.51 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.991 0.737 . . . . 71.33 112.991 -167.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 m -82.91 -7.84 59.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.116 0.484 . . . . 54.35 110.167 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -129.33 19.57 5.81 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.868 -0.606 . . . . 74.35 110.903 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 tp -80.57 151.59 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 63.54 109.998 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -84.22 -162.57 0.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.908 0.385 . . . . 62.11 111.098 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.76 -134.79 4.6 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.157 -0.545 . . . . 74.14 111.94 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 62.22 16.64 8.56 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.942 0.497 . . . . 64.13 111.656 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.22 -18.37 57.5 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.656 -0.783 . . . . 52.02 112.104 -178.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -81.38 78.9 8.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.333 0.587 . . . . 72.13 110.428 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 5.76 11.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.287 -0.869 . . . . 73.25 109.431 176.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.7 m -107.4 124.22 49.52 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.812 -1.085 . . . . 63.44 110.429 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.417 ' HA ' ' OE1' ' A' ' 45' ' ' GLN . 94.4 mt -107.32 127.18 53.33 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.936 -0.764 . . . . 73.14 108.936 173.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -124.4 144.16 50.2 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.084 0.468 . . . . 72.24 110.852 -174.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.34 124.21 20.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.326 -0.852 . . . . 71.31 111.183 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.35 -3.53 56.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.598 -0.81 . . . . 33.34 113.511 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.417 ' OE1' ' HA ' ' A' ' 41' ' ' LEU . 1.3 pt20 -90.79 155.75 18.56 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 117.773 0.787 . . . . 72.45 110.597 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.61 137.51 39.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.168 -0.469 . . . . 64.31 111.028 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.71 164.2 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 53.22 110.988 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.7 m -128.79 134.29 48.33 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.916 -0.772 . . . . 74.35 108.916 176.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.642 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 22.2 p90 -161.31 -175.63 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.496 -0.482 . . . . 74.11 111.42 -173.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -111.33 153.23 26.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.41 -0.814 . . . . 64.42 109.418 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.4 t -127.79 123.83 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.019 0.438 . . . . 72.33 111.025 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.89 113.56 25.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.695 -0.684 . . . . 52.04 109.503 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 42.6 mt-10 -80.13 126.02 30.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.08 -0.509 . . . . 74.35 110.314 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -88.79 -147.36 14.59 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.775 -0.726 . . . . 75.24 111.389 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -74.74 88.17 2.24 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.026 -0.731 . . . . 53.24 109.026 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 52.57 81.87 0.08 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.391 -0.822 . . . . 65.44 110.747 -171.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.68 101.06 0.16 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.804 -0.712 . . . . 44.33 112.171 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 3.9 Cg_exo -80.0 111.08 2.65 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.047 2.498 . . . . 75.24 111.832 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -112.04 150.69 30.29 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.52 -0.472 . . . . 72.33 110.34 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 28' ' ' VAL . . . -86.7 134.93 33.55 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.609 -0.723 . . . . 62.22 111.467 -177.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -135.2 145.6 47.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.289 -0.869 . . . . 73.51 108.941 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.93 83.91 0.12 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.525 -0.546 . . . . 71.34 109.525 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.551 ' HA ' ' HB3' ' A' ' 49' ' ' PHE . 47.7 t -100.13 124.8 53.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 120.468 -0.493 . . . . 62.51 111.076 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -122.08 150.01 42.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.749 -0.659 . . . . 74.42 109.601 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -84.82 136.52 33.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.762 0.315 . . . . 45.43 110.703 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.279 -0.867 . . . . 72.44 109.791 174.626 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 108.926 -0.768 . . . . 63.21 108.926 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.833 ' HG2' ' HB ' ' A' ' 51' ' ' VAL . 1.5 mp0 -102.26 88.85 3.4 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.306 -0.406 . . . . 75.43 111.183 -174.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -111.55 129.14 56.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.902 -0.407 . . . . 75.24 109.902 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 20' ' ' ARG . . . -152.74 176.94 30.71 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.578 -0.82 . . . . 71.14 112.247 -178.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.5 m -95.71 131.1 42.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.801 0.334 . . . . 75.14 110.474 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.2 t -68.88 110.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.084 -0.507 . . . . 75.3 110.489 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.62 -55.53 22.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.895 -0.593 . . . . 75.41 109.509 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.642 ' HD1' ' HB3' ' A' ' 43' ' ' GLU . 0.6 OUTLIER 176.99 168.0 0.54 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.263 -0.88 . . . . 72.12 109.087 173.816 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.657 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 4.7 p90 -123.41 96.42 4.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.504 0.669 . . . . 72.14 109.631 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.463 ' HA ' ' CZ3' ' A' ' 8' ' ' TRP . 2.0 p30 -68.57 84.06 0.28 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.521 0.677 . . . . 72.5 111.396 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.99 -22.56 65.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.375 -0.829 . . . . 70.53 111.665 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -58.05 -39.58 78.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.413 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HB2' ' OD1' ' A' ' 10' ' ' ASN . 29.6 mtpp -101.42 -10.64 20.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.223 0.535 . . . . 73.11 110.041 176.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.25 43.54 20.43 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.539 -0.755 . . . . 71.13 112.58 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -140.27 -178.73 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.217 -0.29 . . . . 73.05 110.217 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.657 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -146.98 162.15 28.53 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.62 -0.8 . . . . 73.5 112.194 175.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -136.58 137.86 40.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.766 0.317 . . . . 74.45 110.745 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.8 mt -127.17 147.73 32.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.863 -0.608 . . . . 72.14 109.655 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -119.77 132.3 55.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 64.14 110.59 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.576 HH11 ' HG3' ' A' ' 2' ' ' GLU . 71.0 mtp180 -119.77 160.44 22.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.233 0.539 . . . . 73.33 111.113 177.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.18 -45.43 84.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.059 -0.973 . . . . 73.31 109.781 171.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -96.16 19.01 12.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.608 -0.724 . . . . 51.35 111.039 -176.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . 179.33 106.78 0.21 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 119.775 -1.203 . . . . 53.31 112.97 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -91.13 155.5 18.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.085 -0.339 . . . . 73.52 110.085 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 t70 63.45 72.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 124.034 0.834 . . . . 73.31 111.508 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -107.29 118.53 55.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.721 -0.672 . . . . 63.42 109.622 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' A' ' 59' ' ' GLN . 28.6 t80 -84.23 140.86 31.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.201 -0.454 . . . . 65.21 110.286 -175.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.0 t -120.26 132.54 69.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.055 0.455 . . . . 71.04 111.422 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -111.16 145.72 38.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 74.11 109.904 173.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.538 ' O ' HG22 ' A' ' 33' ' ' ILE . 82.4 m-85 -71.53 -10.11 59.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.381 0.61 . . . . 74.32 110.072 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -75.73 -4.65 41.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.487 -0.779 . . . . 55.13 110.919 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -121.67 -3.05 9.29 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.78 0.324 . . . . 41.35 111.871 -178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 30' ' ' PHE . 11.0 tp -86.62 148.92 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.674 -0.491 . . . . 60.44 109.674 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -95.07 156.69 16.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.427 -0.351 . . . . 72.23 110.268 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.495 ' HA2' ' HB3' ' A' ' 39' ' ' LYS . . . -108.56 -141.3 9.5 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.72 -0.752 . . . . 72.45 111.267 176.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 4.6 m-20 73.46 -47.41 0.66 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.544 0.738 . . . . 74.41 111.706 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.37 -82.99 0.18 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.035 -0.602 . . . . 53.12 112.1 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -93.52 92.04 7.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.69 0.281 . . . . 74.14 110.892 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' HB3' ' HA2' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -103.44 -7.67 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.038 -0.528 . . . . 74.41 110.551 177.813 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -115.11 136.37 53.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.805 -0.634 . . . . 74.42 109.709 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 HG11 ' A' ' 47' ' ' VAL . 92.6 mt -106.88 129.48 54.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.45 -0.341 . . . . 55.31 110.505 -177.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.585 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 16.0 m-20 -85.36 137.44 32.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.269 0.557 . . . . 71.45 110.986 -177.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.642 ' HB3' ' HD1' ' A' ' 8' ' ' TRP . 6.5 pt-20 -60.67 126.99 29.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.367 -0.833 . . . . 70.42 111.442 -179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.51 -10.48 66.94 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.833 -0.698 . . . . 54.5 113.333 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.585 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 14.3 pt20 -86.75 157.37 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.508 0.654 . . . . 71.23 110.266 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -96.21 141.87 29.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.494 -0.321 . . . . 73.15 110.504 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.46 HG11 HD22 ' A' ' 41' ' ' LEU . 23.6 m -134.55 155.96 39.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.311 -0.404 . . . . 52.13 110.247 176.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 m -107.78 134.72 50.34 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.549 -0.538 . . . . 71.04 109.549 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.505 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 42.9 p90 -150.47 177.78 9.68 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.871 0.367 . . . . 75.22 111.058 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -106.02 140.51 38.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.54 -0.754 . . . . 75.42 110.005 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.833 ' HB ' ' HG2' ' A' ' 2' ' ' GLU . 10.6 p -81.69 133.1 29.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.176 0.513 . . . . 63.45 111.549 -176.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -132.89 138.86 47.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.872 -0.604 . . . . 70.14 109.484 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -85.35 125.29 32.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.847 0.356 . . . . 74.21 110.112 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.82 -148.41 19.15 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.789 -0.641 . . . . 61.43 112.765 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -64.74 -67.75 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.935 0.398 . . . . 73.03 111.753 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -121.72 13.62 10.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.311 -0.404 . . . . 74.5 111.025 -177.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.67 169.93 42.73 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.468 -0.873 . . . . 33.12 112.307 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.95 132.7 13.1 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.745 2.296 . . . . 75.43 112.134 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' A' ' 27' ' ' PHE . 13.9 pt20 -119.02 162.31 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.107 -0.497 . . . . 63.24 110.866 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.07 120.48 31.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.684 -0.689 . . . . 61.22 111.101 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -117.79 138.28 52.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.666 -0.494 . . . . 65.44 109.666 175.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 59.86 88.57 0.07 Allowed 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.875 -0.417 . . . . 65.44 109.875 -174.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.0 t -100.91 111.85 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 50.43 111.224 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -97.41 142.91 28.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.466 -0.788 . . . . 72.11 109.954 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -75.63 133.83 40.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.157 0.503 . . . . 61.51 111.236 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.776 -1.107 . . . . 52.14 108.811 174.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 108.902 -0.777 . . . . 64.51 108.902 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.478 ' HG3' ' NE ' ' A' ' 20' ' ' ARG . 3.4 mm-40 -111.47 153.59 25.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.3 -0.409 . . . . 73.04 111.025 -168.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.37 116.77 32.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.003 -1.11 . . . . 61.25 108.003 170.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.41 177.38 23.86 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.318 -0.944 . . . . 51.22 112.492 -175.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 35.9 m -110.99 137.41 48.65 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.672 0.272 . . . . 53.33 110.395 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.41 106.57 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.488 -0.56 . . . . 62.15 109.488 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HG3' ' CE3' ' A' ' 8' ' ' TRP . 4.9 tppp? -64.38 -50.63 66.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.921 -0.581 . . . . 75.43 110.349 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.426 ' CE3' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -158.79 173.94 15.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 71.51 110.782 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.663 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 5.2 p90 -142.31 93.67 2.56 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.923 -0.769 . . . . 75.52 108.923 174.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.691 HD21 ' HB2' ' A' ' 15' ' ' PHE . 5.8 p-10 -71.81 83.85 0.92 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.498 0.666 . . . . 75.34 111.438 -172.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.84 -16.79 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.638 -0.71 . . . . 74.31 110.282 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -54.35 -40.63 68.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.891 -1.049 . . . . 65.24 109.842 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -123.21 -1.42 8.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.432 -0.349 . . . . 52.31 111.414 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.54 57.33 3.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.068 -0.587 . . . . 44.5 113.197 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.691 ' HB2' HD21 ' A' ' 10' ' ' ASN . 92.2 m-85 -147.7 -178.74 6.42 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.526 -0.546 . . . . 74.11 109.526 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.663 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -138.04 167.12 25.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.45 -0.881 . . . . 62.14 112.384 174.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.494 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 59.7 m-85 -134.96 135.24 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.66 0.23 . . . . 75.0 110.521 177.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.512 HG13 ' CG2' ' A' ' 28' ' ' VAL . 72.0 mt -120.2 146.99 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.792 -0.448 . . . . 61.41 109.792 174.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 11.5 pt-20 -101.8 139.15 37.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.026 0.441 . . . . 65.13 111.006 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.478 ' NE ' ' HG3' ' A' ' 2' ' ' GLU . 60.7 mtp180 -126.36 160.3 30.81 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.437 -0.579 . . . . 65.23 109.437 174.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.33 -20.65 64.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.941 0.4 . . . . 74.24 110.776 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -103.79 19.59 19.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 64.24 110.157 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.86 120.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.991 -0.623 . . . . 51.33 111.81 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.587 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 10.9 p-10 -99.41 56.63 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.603 0.716 . . . . 71.43 111.245 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -149.93 80.52 1.38 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.534 -0.757 . . . . 72.53 109.911 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 60.6 t -118.95 123.27 71.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.642 -0.708 . . . . 74.31 110.226 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -76.09 116.3 16.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.09 0.471 . . . . 71.41 111.42 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.513 ' HB ' ' HA3' ' A' ' 16' ' ' GLY . 47.9 t -86.11 128.17 39.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.019 -0.537 . . . . 73.02 110.069 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -102.77 140.0 37.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.638 -0.71 . . . . 62.15 109.755 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -74.1 -16.57 61.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.59 -0.277 . . . . 74.52 111.644 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.2 t -76.2 -9.21 58.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.414 0.626 . . . . 63.42 109.79 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HB1' ' H ' ' A' ' 62' ' ' ASN . . . -113.29 20.18 16.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.67 -0.696 . . . . 73.42 110.279 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 tp -59.21 152.75 4.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.576 -0.738 . . . . 72.33 111.062 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 6.0 pt20 -59.14 167.39 1.74 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.314 0.578 . . . . 74.51 111.684 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.45 174.37 8.0 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.458 -0.792 . . . . 31.41 112.614 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.0 147.88 6.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.453 0.645 . . . . 64.21 112.26 -175.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.86 -51.05 0.87 Allowed Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.233 -0.894 . . . . 74.05 111.13 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -147.68 113.89 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.324 -0.251 . . . . 71.44 110.324 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' H ' ' HD3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -96.11 10.6 37.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.497 0.665 . . . . 73.02 109.922 176.241 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m -121.46 148.96 43.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.232 -0.895 . . . . 72.3 109.586 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.9 mt -107.54 173.81 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.74 0.305 . . . . 71.02 110.739 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.494 ' N ' HE21 ' A' ' 45' ' ' GLN . 12.9 m-20 -146.77 136.57 23.19 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.11 -0.496 . . . . 62.53 110.15 -173.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.05 112.17 2.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.905 -0.588 . . . . 71.23 110.413 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.09 6.51 36.77 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.399 -0.905 . . . . 71.21 113.904 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.494 HE21 ' N ' ' A' ' 42' ' ' ASP . 27.8 pt20 -101.91 136.42 41.77 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.557 1.178 . . . . 73.13 110.754 174.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -87.67 150.1 23.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.696 -0.684 . . . . 62.22 112.304 -172.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -147.48 174.84 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.391 -0.822 . . . . 72.22 110.257 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.2 m -124.12 133.21 53.65 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.896 -1.15 . . . . 64.41 107.896 170.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE1' HG21 ' A' ' 18' ' ' ILE . 28.2 p90 -149.24 165.29 32.33 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.437 -0.505 . . . . 74.34 111.477 -169.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -99.51 138.77 36.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.851 -0.613 . . . . 73.42 109.386 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.16 115.56 48.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.371 0.605 . . . . 74.14 110.401 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -114.83 122.83 47.56 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.986 -0.552 . . . . 71.04 110.142 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.608 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 45.0 mt-10 -65.88 113.59 4.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 73.51 110.228 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -99.5 -148.31 22.82 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.737 -0.744 . . . . 65.21 113.345 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.449 ' H ' ' CD ' ' A' ' 55' ' ' GLN . 0.9 OUTLIER -47.4 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.798 0.839 . . . . 74.44 112.445 -175.325 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -114.24 -12.13 12.51 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.0 -0.28 . . . . 62.12 111.333 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.39 159.21 27.97 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.405 -0.903 . . . . 71.13 112.002 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.608 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 41.9 Cg_endo -69.32 132.65 24.49 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.411 2.074 . . . . 75.11 111.253 176.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -113.37 145.3 41.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.057 0.456 . . . . 74.1 110.768 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.13 115.58 24.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.459 -0.792 . . . . 75.32 110.411 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.07 138.71 52.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.839 -0.619 . . . . 73.4 109.4 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.402 ' H ' ' HB1' ' A' ' 32' ' ' ALA . 55.7 m-20 56.87 88.6 0.05 Allowed 'General case' 0 CA--C 1.513 -0.477 0 O-C-N 123.484 0.49 . . . . 73.51 109.915 -171.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 34' ' ' GLN . 58.8 t -104.34 106.83 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 C-N-CA 120.364 -0.534 . . . . 71.42 110.076 177.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -93.91 140.14 30.05 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.499 -0.556 . . . . 72.32 109.499 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -78.66 131.22 36.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.989 0.423 . . . . 74.13 111.414 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.795 -0.622 . . . . 74.54 109.673 176.894 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 121.187 0.517 . . . . 74.32 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.494 ' OE1' HG12 ' A' ' 51' ' ' VAL . 4.0 mp0 -97.2 133.6 41.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.884 -0.598 . . . . 73.01 109.437 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 29.9 tt0 -100.37 124.74 46.24 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.547 -0.461 . . . . 72.33 109.813 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.57 168.61 23.8 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 121.009 -0.615 . . . . 44.41 111.758 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.2 m -95.89 129.09 43.24 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.86 0.362 . . . . 44.43 110.737 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.405 ' HA ' HG12 ' A' ' 18' ' ' ILE . 58.9 t -64.05 111.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.003 -0.544 . . . . 72.55 109.738 176.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HE2' ' HB3' ' A' ' 19' ' ' GLU . 11.3 tppt? -67.18 -56.84 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.34 -0.615 . . . . 65.53 109.34 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.575 ' HA ' ' HB3' ' A' ' 43' ' ' GLU . 30.3 t90 -178.28 141.06 0.23 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.888 -1.051 . . . . 61.22 109.224 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.468 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 7.1 p90 -83.29 94.24 7.88 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.425 -0.583 . . . . 72.54 109.425 176.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.56 87.24 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.543 0.687 . . . . 72.11 111.774 -175.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.64 -18.97 65.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.293 -0.867 . . . . 74.21 110.206 176.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.72 -41.17 70.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.245 -0.889 . . . . 72.24 109.738 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -94.57 -30.69 14.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.369 -0.832 . . . . 72.21 109.708 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.62 25.56 8.08 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.79 -0.641 . . . . 63.51 112.48 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -143.59 -168.81 2.93 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.113 -0.329 . . . . 62.41 110.113 -174.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -112.9 155.37 16.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.748 -0.739 . . . . 62.21 111.707 177.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.776 ' CZ ' ' HA ' ' A' ' 25' ' ' ASP . 39.8 t80 -131.16 133.17 45.3 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.468 -0.567 . . . . 72.51 109.468 178.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.426 ' HA ' ' H ' ' A' ' 7' ' ' LYS . 54.3 mt -135.85 148.44 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.598 -0.273 . . . . 74.03 110.459 -175.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 10.0 pt-20 -101.53 128.26 47.85 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.402 0.62 . . . . 74.12 110.743 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HD3' ' HB3' ' A' ' 2' ' ' GLU . 3.9 tpm_? -118.44 159.35 23.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.588 -0.733 . . . . 72.01 109.027 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.73 -33.23 74.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.116 0.484 . . . . 45.32 111.006 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -15.56 59.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.927 -0.579 . . . . 65.45 110.263 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.77 128.29 0.96 Allowed Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.176 -0.77 . . . . 61.33 111.176 -176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.587 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 6.8 p-10 -96.6 56.87 1.56 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.612 0.72 . . . . 62.33 110.936 -177.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.776 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 4.8 p-10 -150.21 39.33 0.75 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.039 -0.982 . . . . 75.55 110.114 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -86.84 119.41 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.594 -0.73 . . . . 72.15 110.56 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -88.56 122.86 32.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 75.11 110.815 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.3 t -92.05 127.74 44.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.538 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -90.19 147.46 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.251 -0.431 . . . . 62.41 110.243 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.44 ' O ' HG22 ' A' ' 33' ' ' ILE . 55.9 t80 -71.23 -19.45 62.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.23 0.538 . . . . 74.35 110.252 -175.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -80.32 -16.52 54.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.1 -0.5 . . . . 73.3 110.578 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.418 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -100.21 -16.96 17.58 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.012 0.375 . . . . 73.15 112.012 -174.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 30' ' ' PHE . 10.1 tp -73.51 145.27 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 110.01 -0.366 . . . . 64.0 110.01 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.603 ' OE1' ' HA ' ' A' ' 64' ' ' GLN . 8.8 pt20 -94.25 152.73 18.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.72 0.295 . . . . 72.44 110.538 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.64 89.02 0.84 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.408 -0.901 . . . . 61.34 111.243 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -83.22 -16.74 45.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.723 0.773 . . . . 73.1 110.109 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.02 -39.12 1.21 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 109.677 -1.369 . . . . 73.12 109.677 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -123.09 151.89 41.6 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.17 -1.048 . . . . 74.33 108.17 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -86.85 26.27 1.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.244 0.545 . . . . 73.11 111.663 -175.721 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.7 m -152.56 158.43 42.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.531 -0.544 . . . . 61.01 109.531 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.49 HD13 HG11 ' A' ' 47' ' ' VAL . 97.4 mt -107.71 173.74 6.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.716 0.293 . . . . 65.41 110.719 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.77 123.11 35.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 70.51 109.989 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.575 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -67.95 118.28 10.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.263 0.554 . . . . 63.23 110.246 178.114 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.12 -7.55 23.24 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.771 -0.65 . . . . 62.3 112.737 -176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -96.39 159.09 15.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.16 0.48 . . . . 75.14 110.294 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -97.55 136.04 38.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.591 0.234 . . . . 73.32 110.612 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.49 HG11 HD13 ' A' ' 41' ' ' LEU . 31.2 m -136.52 164.88 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.419 -0.355 . . . . 70.03 110.323 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.507 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 6.8 m -108.02 145.57 33.76 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.342 -0.614 . . . . 74.42 109.342 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.635 ' HE2' ' HB ' ' A' ' 51' ' ' VAL . 44.8 p90 -160.73 171.17 19.33 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.615 0.245 . . . . 73.24 110.771 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -108.26 109.53 20.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.199 -0.455 . . . . 71.41 109.845 170.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.635 ' HB ' ' HE2' ' A' ' 49' ' ' PHE . 7.3 p -84.57 113.13 22.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.543 0.687 . . . . 54.01 111.085 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -111.64 131.4 55.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 74.01 110.255 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 37.0 mt-10 -80.39 112.0 17.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.736 -0.468 . . . . 73.13 109.736 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.22 -148.48 21.73 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.608 -0.724 . . . . 62.44 113.478 -171.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -58.13 -37.16 74.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.431 -0.385 . . . . 73.22 111.63 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -122.51 -63.05 1.31 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.36 -0.382 . . . . 72.42 111.208 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.0 175.41 17.24 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.265 -0.969 . . . . 63.33 113.088 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.542 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 17.8 Cg_exo -66.99 128.58 18.96 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.462 2.775 . . . . 75.51 112.306 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -126.17 144.34 50.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.814 -0.63 . . . . 71.41 110.619 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.74 118.14 24.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.846 -0.616 . . . . 41.23 111.135 -176.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.418 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -120.79 147.97 44.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.795 -0.638 . . . . 64.44 109.478 175.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 10.9 m-80 59.52 89.26 0.06 Allowed 'General case' 0 C--O 1.238 0.478 0 O-C-N 123.41 0.444 . . . . 74.13 110.16 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.0 t -103.14 136.29 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 64.11 110.993 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.603 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 25.2 tt0 -127.02 130.31 49.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.72 -0.673 . . . . 74.14 109.85 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -70.9 138.16 49.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.308 . . . . 64.43 110.407 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.546 -0.74 . . . . 61.33 110.227 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 tpp . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 109.709 -0.478 . . . . 74.45 109.709 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.739 ' HG3' HG23 ' A' ' 51' ' ' VAL . 2.4 mm-40 -115.3 176.94 4.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.394 -172.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -146.39 148.46 32.36 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.928 -0.768 . . . . 71.51 108.928 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.98 169.68 38.98 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.27 -0.967 . . . . 72.51 112.703 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 4.7 m -102.03 130.33 48.56 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.294 -0.261 . . . . 61.33 110.294 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.2 111.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.552 -0.536 . . . . 61.34 109.552 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -85.05 -41.67 15.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.296 -0.411 . . . . 54.23 111.116 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -149.99 149.21 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.977 -0.289 . . . . 65.02 110.349 -173.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -131.96 93.89 3.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.916 0.388 . . . . 74.33 110.564 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.46 ' OD1' ' HB2' ' A' ' 15' ' ' PHE . 2.2 p30 -81.39 82.39 7.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.949 0.881 . . . . 71.1 110.468 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.14 -27.26 67.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 71.34 112.184 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -4.37 48.84 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.843 -0.343 . . . . 73.52 111.636 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -124.36 -5.78 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 44.25 110.651 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.82 49.59 13.36 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.992 -0.549 . . . . 44.32 113.905 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.46 ' HB2' ' OD1' ' A' ' 10' ' ' ASN . 66.1 m-85 -144.84 148.19 33.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.182 -0.303 . . . . 72.21 110.182 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -112.48 139.67 15.79 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.326 -0.94 . . . . 43.43 111.114 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 25' ' ' ASP . 71.3 t80 -112.13 133.14 54.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.005 0.431 . . . . 75.52 110.108 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.458 HG21 ' CE1' ' A' ' 49' ' ' PHE . 57.7 mt -126.44 144.36 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.922 -0.581 . . . . 72.44 110.788 -175.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.596 ' HG3' ' CB ' ' A' ' 24' ' ' ASP . 34.1 tt0 -111.47 130.52 55.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.702 -0.681 . . . . 75.41 110.336 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -118.61 166.78 12.31 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.088 -0.338 . . . . 70.12 110.088 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.67 -36.89 84.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.349 0.595 . . . . 63.01 110.588 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -102.71 20.48 17.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.782 -0.644 . . . . 62.14 110.741 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.35 104.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.356 -0.926 . . . . 72.24 112.618 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.596 ' CB ' ' HG3' ' A' ' 19' ' ' GLU . 11.6 p-10 -91.67 57.77 3.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.427 0.632 . . . . 62.2 110.804 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 37.9 t70 -161.93 78.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 71.02 109.717 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 46.7 t -130.19 139.62 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 71.41 109.908 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 59' ' ' GLN . 98.1 m-85 -114.92 123.28 48.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.888 0.375 . . . . 74.05 110.954 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.637 HG11 HD12 ' A' ' 41' ' ' LEU . 11.6 p -97.09 137.37 24.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.918 0.39 . . . . 70.33 110.606 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -107.77 148.52 29.38 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.276 -0.875 . . . . 73.14 109.687 177.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 98.3 m-85 -70.75 -11.33 60.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.945 0.402 . . . . 74.04 110.891 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 m -67.93 -14.07 62.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.041 -0.527 . . . . 64.45 111.384 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB1' ' H ' ' A' ' 62' ' ' ASN . . . -136.37 23.2 3.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 61.12 111.17 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.665 HD11 ' HG ' ' A' ' 41' ' ' LEU . 10.2 tp -81.02 151.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.6 . . . . 74.14 111.769 -173.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.413 ' HG3' ' H ' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -77.55 -176.46 4.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.754 -0.657 . . . . 73.34 110.972 176.823 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . -147.51 -142.48 3.69 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.733 -0.746 . . . . 72.21 112.517 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 69.03 89.4 0.1 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.594 0.712 . . . . 72.43 111.15 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.9 -77.66 2.04 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.326 -0.852 . . . . 75.32 111.586 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -106.22 101.74 11.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.197 0.522 . . . . 74.12 110.408 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -85.35 -3.39 58.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.542 -0.754 . . . . 73.43 110.08 179.608 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 p -103.23 163.64 12.12 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.565 -0.743 . . . . 55.43 109.662 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.665 ' HG ' HD11 ' A' ' 33' ' ' ILE . 55.8 mt -107.02 128.99 54.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.878 0.37 . . . . 72.31 110.355 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -99.45 126.84 45.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.754 -0.657 . . . . 71.53 109.762 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -57.84 123.14 14.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.883 -0.599 . . . . 63.03 110.955 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.88 -15.1 11.26 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.912 -0.661 . . . . 60.43 113.034 -176.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -100.71 149.93 23.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 117.659 0.729 . . . . 62.12 110.699 177.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -94.33 144.95 25.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.296 -0.411 . . . . 70.05 110.787 177.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.7 m -140.55 159.57 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 71.31 110.934 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 m -99.77 144.94 28.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.945 -0.761 . . . . 71.34 108.945 176.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.467 ' HA ' ' O ' ' A' ' 62' ' ' ASN . 48.0 p90 -169.99 153.58 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.754 0.312 . . . . 72.31 110.282 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -97.16 141.96 29.66 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.266 -0.574 . . . . 74.44 109.677 174.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.739 HG23 ' HG3' ' A' ' 2' ' ' GLU . 77.3 t -87.52 114.14 25.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.114 0.483 . . . . 64.35 111.001 -177.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -96.02 115.53 27.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.484 -0.78 . . . . 72.32 109.676 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.52 108.99 4.03 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.338 -0.616 . . . . 72.51 109.338 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.75 -148.12 18.45 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.953 -0.642 . . . . 72.33 112.169 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -78.57 -25.85 45.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.83 0.348 . . . . 74.44 111.097 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -144.17 -64.79 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 74.11 111.409 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.86 155.88 22.2 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.493 -0.861 . . . . 55.33 112.552 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.32 116.69 4.4 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 123.003 2.469 . . . . 75.03 110.932 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 27' ' ' PHE . 14.0 pt20 -106.88 151.29 25.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.939 0.4 . . . . 73.31 111.086 -176.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB3' HG23 ' A' ' 28' ' ' VAL . . . -80.99 118.7 22.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.927 -0.579 . . . . 71.12 111.127 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.66 139.62 51.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.495 -0.775 . . . . 74.12 109.192 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 27.7 m-80 56.66 85.52 0.08 Allowed 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.015 0.436 . . . . 75.12 109.997 -173.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -98.95 126.65 52.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.65 -0.704 . . . . 74.12 110.283 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -121.0 142.92 49.34 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.249 -0.648 . . . . 74.11 109.249 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -66.71 132.65 48.57 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.236 -0.283 . . . . 64.43 110.236 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.803 -0.617 . . . . 25.42 110.272 -179.531 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.995 0.426 . . . . 75.04 110.46 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.05 17.05 14.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.503 0.668 . . . . 72.33 109.467 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.574 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 35.1 tt0 -98.77 153.76 18.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.089 -0.96 . . . . 72.11 110.171 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.98 -178.98 29.8 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.888 -0.672 . . . . 64.13 111.87 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.8 m -106.5 130.37 54.3 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.556 0.217 . . . . 62.12 110.502 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.82 116.83 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.582 -0.281 . . . . 73.1 110.54 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -79.99 -62.35 1.71 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.686 -0.487 . . . . 73.04 109.686 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.503 ' HD1' ' H ' ' A' ' 9' ' ' PHE . 4.2 t90 176.42 151.19 0.15 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.349 -0.611 . . . . 72.2 109.349 -177.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.824 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 9.3 m-85 -88.72 87.64 7.32 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.609 -0.886 . . . . 72.44 108.609 168.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -60.87 98.59 0.07 Allowed 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 122.052 0.93 . . . . 54.42 110.953 -160.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.22 -10.65 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 113.458 -1.701 . . . . 64.21 114.329 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -54.52 -37.6 65.57 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.975 -0.75 . . . . 73.13 108.975 167.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -116.11 -30.43 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.316 -0.857 . . . . 70.41 109.968 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.9 60.37 1.78 Allowed Glycine 0 C--N 1.332 0.338 0 N-CA-C 111.032 -0.827 . . . . 72.3 111.032 -173.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 33.5 m-85 -164.49 146.71 8.64 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 121.134 -0.226 . . . . 73.55 110.645 -164.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.824 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -89.98 141.49 16.04 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 119.398 -1.382 . . . . 64.51 114.27 -162.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 34.3 m-85 -122.01 134.54 54.8 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 114.897 -0.652 . . . . 75.23 109.653 170.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.552 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 52.4 mt -116.14 142.68 28.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-N 115.336 -0.847 . . . . 72.41 110.176 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.732 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 40.7 tt0 -101.7 124.86 48.05 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.434 -0.803 . . . . 63.52 110.643 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.669 ' HD3' ' CZ ' ' A' ' 49' ' ' PHE . 15.0 mtm180 -134.39 -171.86 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.808 -0.633 . . . . 73.11 109.697 176.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.61 -24.53 63.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.934 0.397 . . . . 65.54 110.769 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -85.3 -6.38 59.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 72.12 110.812 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.84 177.81 16.71 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.739 . . . . 62.11 112.208 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.732 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 8.5 p-10 -98.98 58.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.641 0.734 . . . . 71.34 110.369 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.4 28.15 4.69 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.659 -0.7 . . . . 61.45 111.303 -177.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.552 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 60.7 t -85.55 112.08 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.442 -0.503 . . . . 64.0 110.203 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -76.76 107.32 8.99 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.037 -0.529 . . . . 53.43 111.612 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.441 HG21 HG13 ' A' ' 18' ' ' ILE . 38.8 t -94.41 125.49 47.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.201 -0.454 . . . . 73.2 111.027 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -99.39 164.59 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.667 -0.697 . . . . 75.25 110.181 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.55 ' HA ' HD13 ' A' ' 33' ' ' ILE . 22.0 p90 -66.38 -18.81 65.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.089 -0.505 . . . . 74.21 112.079 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.5 p -77.09 -11.29 59.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.036 0.446 . . . . 40.43 111.156 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.602 ' O ' HG12 ' A' ' 63' ' ' VAL . . . -82.79 -37.68 24.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.239 -0.437 . . . . 74.13 111.331 -178.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.55 HD13 ' HA ' ' A' ' 30' ' ' PHE . 2.1 mp -49.98 128.39 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 123.895 0.747 . . . . 53.34 112.213 -172.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.457 ' OE1' HG13 ' A' ' 63' ' ' VAL . 5.2 pm0 -83.09 159.38 22.12 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.894 -0.594 . . . . 75.4 110.143 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.96 87.62 1.37 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.448 -0.882 . . . . 43.45 112.699 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -113.52 -77.24 0.58 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.854 -0.795 . . . . 73.52 108.854 171.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.83 23.55 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 114.631 -1.168 . . . . 73.41 110.314 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' A' ' 40' ' ' SER . 55.6 m-85 -128.52 105.46 8.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.538 -0.331 . . . . 70.23 110.237 -174.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.523 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -82.21 -17.84 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.634 0.731 . . . . 74.14 109.089 174.711 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 38' ' ' PHE . 18.4 m -119.0 154.24 33.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.942 -1.026 . . . . 75.3 108.428 172.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.54 ' HB2' ' HE1' ' A' ' 9' ' ' PHE . 81.0 mt -106.62 147.41 29.53 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.647 -0.421 . . . . 73.12 110.726 -176.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.502 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 31.6 t70 -83.79 122.66 28.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.681 . . . . 65.34 110.58 -177.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG3' ' H ' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -63.69 129.71 41.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.532 0.682 . . . . 74.33 111.163 -178.644 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.28 -7.86 44.03 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.563 -0.827 . . . . 73.31 112.723 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 2.7 pt20 -89.8 150.98 22.02 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 117.405 0.603 . . . . 50.11 110.562 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.25 135.85 35.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.004 -0.544 . . . . 71.15 110.301 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.405 ' HB ' ' CG2' ' A' ' 63' ' ' VAL . 20.6 m -139.97 148.06 23.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.322 -0.399 . . . . 65.02 110.456 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.588 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 4.8 m -98.17 152.87 18.91 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.599 -0.889 . . . . 51.31 108.599 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CZ ' ' HD3' ' A' ' 20' ' ' ARG . 51.5 p90 -159.75 163.8 34.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 118.683 0.674 . . . . 75.4 111.466 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -93.58 108.81 20.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.775 -0.648 . . . . 63.5 109.65 173.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.573 ' HB ' ' HE1' ' A' ' 49' ' ' PHE . 7.4 p -88.65 128.55 40.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.927 -0.579 . . . . 74.44 110.932 -177.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -132.16 136.23 46.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.53 . . . . 73.5 110.146 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -108.49 109.89 21.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 74.44 110.387 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.13 -147.63 9.33 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.637 -0.985 . . . . 64.35 110.637 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -89.41 13.29 14.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.745 0.783 . . . . 73.42 109.78 176.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -117.66 -162.26 0.86 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.716 -1.129 . . . . 62.33 108.691 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.481 ' O ' ' HG3' ' A' ' 59' ' ' GLN . . . -67.77 167.44 41.66 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.693 -0.765 . . . . 74.03 112.5 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.1 121.32 8.75 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.001 2.468 . . . . 75.11 111.594 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 63.0 mt-30 -112.91 142.84 45.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.077 0.465 . . . . 73.55 111.301 -172.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.28 120.34 39.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.434 -0.803 . . . . 63.41 110.541 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.06 136.91 55.01 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.566 -0.531 . . . . 55.45 109.566 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.442 ' H ' ' HA ' ' A' ' 32' ' ' ALA . 19.1 m-80 62.48 98.78 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.588 0.555 . . . . 74.12 110.618 -176.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 32' ' ' ALA . 7.4 p -105.65 116.9 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.905 0.859 . . . . 43.22 111.191 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.588 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 21.5 tt0 -86.94 147.74 25.63 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.598 -1.183 . . . . 72.43 110.068 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -83.15 148.61 27.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.478 -0.328 . . . . 73.52 110.231 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.409 -0.805 . . . . 72.32 110.306 -179.144 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 1' ' ' MET . 19.9 ptt? . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.484 0.659 . . . . 75.54 110.207 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.471 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 28.4 mm-40 -103.88 124.5 49.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.088 0.471 . . . . 72.34 110.964 -175.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.507 ' NE2' ' HB1' ' A' ' 46' ' ' ALA . 17.8 tm0? -99.0 134.47 41.78 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.663 -0.699 . . . . 75.31 109.23 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.55 156.12 26.81 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.3 -0.952 . . . . 45.44 112.413 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m -111.64 121.72 45.89 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.113 -0.329 . . . . 70.33 110.113 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.08 114.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.126 -0.324 . . . . 64.02 110.126 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.604 ' HE3' ' HB2' ' A' ' 19' ' ' GLU . 40.2 ttmt -88.32 -52.71 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.4 -0.364 . . . . 74.34 111.017 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -163.4 174.4 11.99 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.882 -0.414 . . . . 75.51 109.882 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -129.5 94.39 3.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.627 0.727 . . . . 74.42 109.919 176.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.47 93.1 0.47 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.443 0.64 . . . . 75.41 111.074 -177.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.31 -25.33 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.236 -0.893 . . . . 75.44 111.684 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.35 -42.72 74.22 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.341 0.591 . . . . 70.4 110.289 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -97.09 -19.86 18.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.653 -0.703 . . . . 65.31 110.262 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.72 42.66 12.94 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.612 -0.722 . . . . 71.24 113.129 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -148.1 170.9 16.79 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.935 -0.395 . . . . 72.13 109.935 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 27' ' ' PHE . . . -98.52 140.74 15.19 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.641 -0.79 . . . . 61.1 111.314 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.496 ' CE1' ' HA ' ' A' ' 25' ' ' ASP . 69.5 t80 -112.63 132.46 55.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.211 0.529 . . . . 73.23 110.767 -177.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.511 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 78.6 mt -127.29 139.93 50.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-N 115.431 -0.804 . . . . 53.23 110.676 -175.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.864 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 40.3 tt0 -104.36 146.58 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.695 -0.684 . . . . 75.12 110.601 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.441 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 27.4 mtp180 -135.71 179.75 6.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 73.12 110.796 175.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' OE1' ' HB3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.92 -30.51 58.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.612 -0.722 . . . . 74.13 110.712 179.159 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -83.32 5.75 22.19 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.425 -0.352 . . . . 63.52 111.125 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.22 168.38 12.42 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.962 -0.637 . . . . 52.25 111.81 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.864 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 12.7 p-10 -124.17 108.78 12.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.369 0.604 . . . . 71.22 111.071 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.496 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 30.2 t70 -170.07 26.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.299 -0.864 . . . . 72.35 108.776 176.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 41.9 t -89.13 115.94 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 115.608 -0.724 . . . . 62.24 110.102 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 57.1 m-85 -100.05 123.15 43.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.073 0.463 . . . . 70.45 111.096 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.5 p -94.82 138.56 20.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.896 -0.593 . . . . 73.51 110.046 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -98.73 154.2 18.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 72.13 109.973 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -67.48 -38.24 84.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.901 0.381 . . . . 72.32 111.024 -175.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -77.2 -2.84 36.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 41.35 111.218 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.629 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -95.49 -5.29 43.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.146 0.498 . . . . 74.32 110.565 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.4 mt -88.22 149.62 4.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.573 -0.739 . . . . 73.51 109.571 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.6 pm0 -79.09 9.54 4.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.799 0.333 . . . . 45.31 111.745 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.67 173.39 16.05 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.877 -0.678 . . . . 61.34 112.393 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -115.38 -63.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.273 -0.64 . . . . 74.11 109.273 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.81 -33.36 75.3 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 110.977 -0.849 . . . . 71.14 110.977 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -91.33 87.97 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.906 -0.405 . . . . 63.4 109.906 173.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -112.69 11.01 19.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.553 0.692 . . . . 74.02 109.741 178.034 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 p -117.18 146.49 43.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.329 -0.851 . . . . 73.51 110.243 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.6 mt -117.16 152.19 35.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.284 -0.416 . . . . 71.53 110.19 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 28.7 t70 -84.86 129.53 34.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.216 -0.447 . . . . 62.55 110.935 -178.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.73 119.96 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 75.24 111.087 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.04 -7.21 37.69 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.782 -0.723 . . . . 44.34 113.08 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.737 ' NE2' ' HE2' ' A' ' 65' ' ' LYS . 2.3 pt20 -86.92 153.16 21.82 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 117.348 0.574 . . . . 74.02 110.665 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HB1' ' NE2' ' A' ' 3' ' ' GLN . . . -95.79 139.4 32.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.744 -0.662 . . . . 74.54 110.253 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.79 165.07 32.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.041 0.448 . . . . 73.0 110.819 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -124.74 135.12 52.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.978 -0.749 . . . . 72.43 108.978 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -146.09 170.05 17.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.861 0.362 . . . . 72.02 111.167 -175.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -103.19 109.92 21.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.82 -0.627 . . . . 73.42 109.44 174.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.471 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 8.9 p -73.76 134.7 29.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.357 0.598 . . . . 53.14 111.253 -173.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -122.41 150.88 41.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.438 -0.801 . . . . 73.34 109.109 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -79.92 129.06 34.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.926 0.393 . . . . 71.52 110.435 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.23 179.24 36.25 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.955 -0.858 . . . . 63.4 110.955 175.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -72.49 -37.23 68.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.958 0.379 . . . . 74.24 111.351 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.8 mtm-85 -132.57 10.81 4.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.55 -0.46 . . . . 72.31 111.73 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.01 160.45 26.79 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.99 -1.1 . . . . 31.12 112.582 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -71.15 127.74 13.88 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.083 2.522 . . . . 52.43 111.962 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -111.38 138.48 47.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.059 0.457 . . . . 74.24 110.851 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.27 114.6 23.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.771 -0.65 . . . . 32.55 110.175 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.629 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -120.28 154.96 34.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.803 -0.635 . . . . 64.32 109.621 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 51.66 76.4 0.17 Allowed 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.462 0.476 . . . . 74.24 110.625 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.34 138.26 20.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.832 -0.622 . . . . 73.45 110.7 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -135.2 145.64 47.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.102 -0.499 . . . . 53.54 109.671 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.737 ' HE2' ' NE2' ' A' ' 45' ' ' GLN . 26.5 tptp -66.45 126.22 28.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.051 -0.352 . . . . 75.01 110.051 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.495 -0.764 . . . . 52.34 110.853 -178.537 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.606 ' N ' ' HA ' ' A' ' 50' ' ' ASP . 67.3 mtt . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.819 0.342 . . . . 72.04 110.511 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -100.02 -158.94 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.207 -0.664 . . . . 73.12 109.207 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -133.36 138.03 46.13 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.675 -0.491 . . . . 73.34 109.675 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.85 -169.23 16.43 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.778 -0.725 . . . . 73.41 112.132 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.6 m -125.7 138.37 53.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.814 0.34 . . . . 62.11 110.847 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.97 122.4 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.473 -0.566 . . . . 53.44 109.473 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -93.91 -46.01 7.37 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.945 -0.302 . . . . 73.43 111.447 -175.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.43 ' CZ3' ' HB3' ' A' ' 10' ' ' ASN . 9.0 t90 -167.5 167.07 13.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.779 -0.452 . . . . 72.35 109.779 -177.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.474 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 20.4 p90 -157.04 110.33 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.396 0.617 . . . . 74.11 111.217 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.43 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 1.8 p30 -80.86 80.67 7.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.781 0.801 . . . . 71.4 110.37 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.34 -24.86 65.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.942 -1.026 . . . . 71.53 112.103 -175.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -34.92 74.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.47 -0.332 . . . . 65.44 111.153 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -112.78 -2.93 14.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 75.3 111.277 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.451 ' HA2' ' HE2' ' A' ' 30' ' ' PHE . . . 79.18 46.41 8.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.985 -0.626 . . . . 45.21 113.281 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -145.83 177.96 8.53 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.819 -0.437 . . . . 75.44 109.819 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 9' ' ' PHE . . . -174.26 -175.96 42.27 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.846 -0.692 . . . . 51.14 111.995 174.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.54 134.63 45.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.858 0.361 . . . . 75.41 110.464 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.3 mt -131.29 146.66 33.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.128 -0.693 . . . . 64.13 109.128 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.611 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 9.6 pt-20 -100.83 127.81 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.367 0.603 . . . . 73.12 112.052 -174.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -98.95 156.73 16.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.802 -1.185 . . . . 74.04 107.802 167.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.86 -8.54 53.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.117 0.414 . . . . 63.12 112.117 -174.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -112.43 -1.25 15.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.908 0.385 . . . . 75.12 110.584 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.67 104.69 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.954 -0.641 . . . . 73.15 111.926 -176.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.611 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.6 p-10 -93.95 58.3 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.468 0.651 . . . . 72.32 111.569 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -161.44 44.8 0.17 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.523 0.678 . . . . 74.3 110.843 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.2 t -86.98 131.38 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 64.24 110.078 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -82.97 115.33 21.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.241 -0.436 . . . . 54.22 110.415 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.696 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 10.3 p -101.97 145.7 11.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.187 0.518 . . . . 75.12 110.726 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -129.94 155.22 46.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.482 -0.781 . . . . 65.3 109.052 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' HA ' HG12 ' A' ' 33' ' ' ILE . 73.3 m-85 -67.32 -15.88 63.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.509 0.559 . . . . 72.34 112.509 -170.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.7 m -69.63 -18.78 63.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.809 0.338 . . . . 62.32 110.979 176.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -91.04 -11.19 39.53 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.142 0.496 . . . . 53.42 110.715 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.584 HG12 ' HA ' ' A' ' 30' ' ' PHE . 45.5 mm -74.04 138.55 20.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.598 -0.728 . . . . 44.44 109.666 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -69.03 149.02 49.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.235 -0.439 . . . . 73.34 110.593 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 36' ' ' ASP . . . -91.41 170.98 34.58 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.842 -0.903 . . . . 60.43 110.842 173.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 8.9 t70 72.49 115.01 0.05 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.395 0.617 . . . . 74.53 111.168 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.78 -111.76 3.32 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.914 -0.66 . . . . 45.24 112.595 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -82.02 88.67 6.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.867 0.365 . . . . 62.01 110.927 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 17.95 10.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.751 0.786 . . . . 62.44 110.414 177.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.0 m -148.53 139.4 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.184 -0.916 . . . . 44.33 109.065 173.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.2 mt -107.87 136.6 47.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.796 0.331 . . . . 61.24 111.341 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 15.6 m-20 -84.25 122.76 29.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.644 . . . . 63.15 110.068 175.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.99 136.69 58.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.205 0.526 . . . . 74.44 110.255 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.97 -24.3 19.31 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.736 -0.745 . . . . 74.24 112.505 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 28.5 pt20 -85.23 150.13 25.01 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 117.514 0.657 . . . . 65.03 110.645 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.17 140.14 30.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.693 -0.685 . . . . 65.43 110.533 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.49 HG12 ' HD2' ' A' ' 65' ' ' LYS . 18.3 m -142.66 149.01 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.814 -0.63 . . . . 73.04 110.798 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.0 m -74.97 134.63 41.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.598 -1.26 . . . . 62.51 107.598 169.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.767 ' CZ ' ' HB1' ' A' ' 60' ' ' ALA . 5.3 t80 -148.0 144.34 27.88 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.807 -0.757 . . . . 75.34 111.808 -164.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.606 ' HA ' ' N ' ' A' ' 1' ' ' MET . 23.9 t0 -105.34 167.27 9.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 53.14 110.387 178.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.9 p -142.6 136.52 27.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.276 0.56 . . . . 73.43 111.038 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.7 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 51.4 mm-40 -111.1 152.83 26.51 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.523 -0.762 . . . . 74.53 109.452 175.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.3 119.58 22.55 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.059 0.457 . . . . 74.35 110.326 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' A' ' 57' ' ' GLY . . . -96.07 170.73 27.79 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.793 -0.718 . . . . 75.12 112.9 -175.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -70.93 -39.77 72.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.239 0.542 . . . . 75.42 110.441 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -104.94 -52.28 2.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.702 -0.681 . . . . 53.21 110.094 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.461 ' O ' ' HA3' ' A' ' 54' ' ' GLY . . . -143.37 172.85 24.61 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.448 -0.796 . . . . 44.23 111.142 178.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -57.07 125.94 20.59 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.693 2.262 . . . . 74.21 112.171 -179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.7 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 14.3 pt20 -96.39 134.39 39.6 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.459 -0.571 . . . . 75.44 109.459 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.767 ' HB1' ' CZ ' ' A' ' 49' ' ' PHE . . . -76.52 145.72 38.93 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.896 -0.593 . . . . 70.02 111.666 -175.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.461 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -152.8 153.72 33.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.309 -0.405 . . . . 70.24 111.072 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.6 m120 54.34 93.53 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.752 0.821 . . . . 72.43 112.755 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.647 HG22 ' HE1' ' A' ' 49' ' ' PHE . 62.1 t -83.29 129.72 37.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.803 -0.635 . . . . 75.34 110.068 170.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -136.38 125.45 24.44 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.917 -0.771 . . . . 63.1 108.917 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HD2' HG12 ' A' ' 47' ' ' VAL . 25.2 tptp -70.9 130.95 42.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.364 0.602 . . . . 74.11 111.912 -174.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.796 0 CA-C-N 115.035 -0.984 . . . . 63.32 109.345 172.702 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 109.473 -0.566 . . . . 62.44 109.473 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.46 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 76.0 mm-40 -117.61 146.79 43.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.155 0.502 . . . . 72.12 111.419 -173.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -139.93 118.34 12.15 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.647 -0.872 . . . . 74.21 108.647 172.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.59 -169.75 19.63 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.118 -1.039 . . . . 64.23 112.788 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 m -104.78 133.32 49.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.682 0.277 . . . . 74.02 110.482 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.29 111.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.014 -0.365 . . . . 73.31 110.014 178.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -78.61 -64.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.067 -0.515 . . . . 74.03 110.583 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -176.24 142.82 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.642 -0.708 . . . . 71.53 109.393 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.667 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 31.9 p90 -138.64 123.25 18.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.076 0.465 . . . . 70.13 110.709 -178.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -70.63 86.14 0.65 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.535 0.683 . . . . 51.43 110.6 176.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.74 -20.58 65.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.312 -0.858 . . . . 73.41 111.213 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.19 -33.15 67.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.007 -0.542 . . . . 75.2 110.204 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -103.48 -19.84 14.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 71.21 110.34 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.73 21.07 32.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.999 -0.619 . . . . 73.53 112.327 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -138.17 174.25 10.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.416 -0.587 . . . . 75.5 109.416 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.667 ' HA3' ' HA ' ' A' ' 9' ' ' PHE . . . 174.33 -166.62 38.66 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.38 -0.914 . . . . 74.2 112.542 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 95.9 m-85 -125.32 134.94 52.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.409 0.624 . . . . 74.0 111.372 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 61.9 mt -109.68 147.97 13.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.29 -0.868 . . . . 73.42 108.67 171.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -100.31 130.79 46.47 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.318 -0.623 . . . . 73.44 109.318 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.464 ' HB2' ' H ' ' A' ' 23' ' ' GLY . 72.5 mtp180 -84.14 170.38 13.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.838 0.351 . . . . 70.25 110.524 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.92 -46.64 62.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.174 -0.466 . . . . 72.34 109.918 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -93.64 -21.97 19.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.531 . . . . 72.41 111.27 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.464 ' H ' ' HB2' ' A' ' 20' ' ' ARG . . . -145.98 -149.42 4.99 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.409 -0.9 . . . . 74.13 113.129 -175.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -145.38 -177.64 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.993 -0.373 . . . . 65.01 109.993 -177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 63.75 85.39 0.13 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.753 0.821 . . . . 74.45 112.919 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.546 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 91.1 t -123.51 116.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.846 -0.615 . . . . 75.42 109.564 168.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -71.02 104.4 2.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.177 0.513 . . . . 71.1 110.655 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 p -95.0 144.83 9.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.835 -0.432 . . . . 71.33 109.835 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -138.35 138.83 38.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.466 -0.568 . . . . 75.31 109.466 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.514 ' HA ' HD13 ' A' ' 33' ' ' ILE . 42.0 p90 -51.57 -31.65 25.38 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.166 0.802 . . . . 72.44 113.166 -170.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 p -70.38 -13.3 62.08 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.357 0.503 . . . . 51.51 112.357 -175.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.84 -7.24 52.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.86 0.362 . . . . 53.41 111.342 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 30' ' ' PHE . 2.5 mp -90.27 134.66 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.097 0.475 . . . . 74.11 110.628 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -126.87 152.37 47.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.702 -0.681 . . . . 42.43 109.379 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.63 -164.5 35.42 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.197 -1.001 . . . . 53.15 112.155 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -86.18 -5.99 59.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.02 0.438 . . . . 53.32 110.539 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.3 55.96 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.779 -0.929 . . . . 65.11 110.779 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -131.17 117.76 19.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.89 0.376 . . . . 73.44 111.491 -173.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -117.55 1.48 12.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.722 0.772 . . . . 72.3 108.926 167.171 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.2 t -138.96 146.2 40.68 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.53 -1.214 . . . . 50.22 109.411 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -107.68 158.55 17.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.111 0.482 . . . . 71.33 110.767 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -91.85 121.35 33.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.042 -0.526 . . . . 72.03 110.033 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.65 131.0 43.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.092 -0.504 . . . . 74.21 110.237 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.71 -10.75 56.11 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.631 -0.795 . . . . 65.33 112.649 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' NE2' ' HE2' ' A' ' 65' ' ' LYS . 2.0 pt20 -88.84 156.59 18.85 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 117.227 0.514 . . . . 72.3 110.175 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -98.88 129.72 45.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.013 -0.54 . . . . 70.3 109.857 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.28 162.19 40.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.036 0.446 . . . . 74.13 110.873 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.2 m -116.92 148.52 41.28 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.628 -0.878 . . . . 73.55 108.628 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.522 ' CE1' HG11 ' A' ' 26' ' ' VAL . 22.9 p90 -162.92 160.55 25.0 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.24 0.543 . . . . 70.22 111.123 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -87.06 148.05 25.43 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.493 -0.928 . . . . 71.2 108.493 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.0 p -102.63 130.9 51.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.379 0.609 . . . . 75.3 111.918 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.528 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 23.5 mm-40 -104.0 140.16 38.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.342 -0.845 . . . . 65.14 109.857 173.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.02 148.29 46.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.782 0.325 . . . . 63.44 110.448 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 57' ' ' GLY . . . -132.28 157.2 22.39 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.779 -0.724 . . . . 32.15 111.45 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -86.21 4.81 37.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.118 0.485 . . . . 72.05 110.752 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -137.52 -52.39 0.65 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.391 -0.822 . . . . 75.05 109.159 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.413 ' O ' ' HA3' ' A' ' 54' ' ' GLY . . . -150.44 162.82 29.41 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.043 -0.823 . . . . 50.15 111.043 176.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.1 143.63 44.94 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.599 2.199 . . . . 72.31 112.365 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.528 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 24.6 pt20 -115.11 160.43 19.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.966 0.413 . . . . 63.34 110.615 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.5 129.56 36.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.769 -0.651 . . . . 72.34 111.143 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.36 136.61 39.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.702 -0.481 . . . . 55.43 109.702 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 61.48 88.35 0.09 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.157 0.503 . . . . 65.22 110.18 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -91.87 113.61 27.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.144 0.497 . . . . 74.33 111.16 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -92.95 125.09 37.37 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.047 -0.723 . . . . 73.23 109.047 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HE2' ' NE2' ' A' ' 45' ' ' GLN . 25.8 tptp -69.98 120.29 15.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.135 0.493 . . . . 74.53 111.283 -176.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.245 0.862 0 CA-C-N 115.592 -0.731 . . . . 70.14 109.135 174.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 109.302 -0.629 . . . . 74.23 109.302 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.74 ' HB3' HH11 ' A' ' 20' ' ' ARG . 5.7 mm-40 -116.69 176.03 5.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.217 -0.447 . . . . 73.51 110.735 -168.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -139.22 146.28 40.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.253 -0.647 . . . . 75.3 109.253 174.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.55 162.27 29.86 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.445 -0.883 . . . . 52.11 112.453 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 30.4 m -101.43 125.33 48.05 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 110.317 -0.253 . . . . 70.43 110.317 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.33 111.83 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.23 -0.656 . . . . 61.32 109.23 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HD2' ' HB2' ' A' ' 19' ' ' GLU . 82.1 tttt -88.07 -55.98 3.52 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.012 -0.275 . . . . 70.3 111.113 -172.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -158.95 138.64 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.0 -0.28 . . . . 71.25 110.821 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 65.4 t80 -98.65 99.9 11.07 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.726 -0.472 . . . . 71.21 109.726 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.541 ' OD1' ' HB2' ' A' ' 13' ' ' LYS . 2.1 p30 -71.81 82.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.962 0.887 . . . . 74.14 110.519 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.74 -26.56 68.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.759 -1.11 . . . . 62.12 112.32 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -72.64 -11.35 60.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.184 0.516 . . . . 72.13 110.914 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.541 ' HB2' ' OD1' ' A' ' 10' ' ' ASN . 30.7 mmmt -113.55 -21.23 10.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.037 -0.529 . . . . 74.33 110.091 173.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.5 26.73 24.48 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.83 -0.623 . . . . 63.24 112.548 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.07 -178.22 5.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.552 -0.381 . . . . 74.32 109.998 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -140.4 154.22 23.97 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.738 -0.744 . . . . 63.14 111.6 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -111.5 134.36 53.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.995 0.426 . . . . 64.24 110.305 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 30.8 mt -114.59 136.13 52.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 CA-C-N 115.567 -0.742 . . . . 63.23 109.746 175.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.777 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 36.7 tt0 -103.31 123.39 46.7 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.25 -0.887 . . . . 73.13 110.074 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.74 HH11 ' HB3' ' A' ' 2' ' ' GLU . 11.8 ttp180 -122.66 176.3 6.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.896 -0.779 . . . . 74.21 108.896 176.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' H ' ' HG2' ' A' ' 20' ' ' ARG . 10.5 mm-40 -67.65 -7.26 25.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.017 0.436 . . . . 75.33 111.189 -178.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.03 12.61 25.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 71.42 110.779 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.95 155.7 9.16 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.62 -0.8 . . . . 33.41 112.85 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.777 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 18.7 p-10 -98.6 57.62 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.659 0.743 . . . . 71.22 110.103 177.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -122.51 15.51 10.37 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.563 -0.744 . . . . 73.4 110.45 -173.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.549 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 49.1 t -87.08 120.49 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.352 -0.385 . . . . 75.15 110.9 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -88.38 144.89 26.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 55.42 111.244 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 m -138.81 149.09 23.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 116.022 -0.535 . . . . 75.53 111.146 173.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -145.68 178.49 8.11 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.639 -0.874 . . . . 64.2 108.639 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' O ' HG22 ' A' ' 33' ' ' ILE . 94.4 m-85 -63.8 -10.02 17.87 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.658 0.614 . . . . 71.1 112.658 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -69.53 -19.18 63.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.146 0.498 . . . . 71.33 110.647 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -102.8 -25.07 13.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.96 -0.564 . . . . 54.21 112.021 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.508 ' HA ' HG21 ' A' ' 63' ' ' VAL . 11.4 tp -63.07 148.48 11.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 123.545 0.528 . . . . 53.52 111.972 -170.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -80.25 -178.65 6.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.466 -0.788 . . . . 71.13 109.975 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -135.23 -155.08 7.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.563 -0.827 . . . . 64.1 111.692 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 71.87 -56.4 0.64 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.308 0.643 . . . . 74.41 111.928 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.69 -51.92 0.3 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.747 -0.739 . . . . 54.15 113.235 -176.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -119.09 117.16 27.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.508 -0.407 . . . . 70.22 110.934 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -94.76 0.65 55.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.367 0.603 . . . . 73.45 110.007 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.7 m -151.16 157.56 42.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 62.32 109.71 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.468 HD13 HG21 ' A' ' 47' ' ' VAL . 98.7 mt -113.98 165.0 13.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.011 0.434 . . . . 74.1 111.175 -175.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.11 126.71 33.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.402 -0.817 . . . . 51.33 111.037 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.72 114.71 7.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.201 -0.666 . . . . 62.04 109.201 174.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.28 -1.34 26.69 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.5 -0.857 . . . . 72.33 112.868 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -102.37 152.84 20.63 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 117.423 0.612 . . . . 73.23 110.023 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -93.66 134.37 36.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.049 -0.523 . . . . 75.44 110.033 177.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.468 HG21 HD13 ' A' ' 41' ' ' LEU . 1.3 m -140.75 154.85 21.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.989 0.423 . . . . 73.05 110.696 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 25.1 m -86.31 137.72 32.38 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.96 -0.563 . . . . 62.22 109.886 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.642 ' CZ ' HG22 ' A' ' 63' ' ' VAL . 8.5 m-85 -141.61 147.13 37.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 64.2 111.294 -175.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.66 103.45 15.14 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.166 -0.679 . . . . 74.43 109.166 170.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.612 HG12 ' HG3' ' A' ' 2' ' ' GLU . 11.0 p -95.8 141.37 15.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.048 0.452 . . . . 64.53 111.941 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -134.15 142.79 47.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.756 -0.656 . . . . 60.52 109.869 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 2.0 mp0 -85.46 118.65 25.12 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.243 -0.435 . . . . 70.34 110.758 -176.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.75 164.89 23.06 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.691 -0.766 . . . . 74.24 111.285 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -78.03 63.74 3.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.349 . . . . 74.54 111.098 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 171.73 -26.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.523 -0.762 . . . . 71.14 109.352 -177.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.49 151.85 7.35 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.08 -0.808 . . . . 73.53 111.08 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.513 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 57.2 Cg_endo -73.7 120.37 6.39 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.313 2.009 . . . . 64.03 112.064 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -112.64 144.0 42.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.06 0.457 . . . . 70.03 109.832 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 51' ' ' VAL . . . -96.95 132.6 42.57 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.118 -0.492 . . . . 30.12 110.126 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.526 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . . . -122.54 169.01 11.44 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.258 -0.645 . . . . 71.22 109.258 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.2 m120 58.84 94.44 0.03 OUTLIER 'General case' 0 C--O 1.242 0.66 0 CA-C-O 120.816 0.341 . . . . 74.2 110.965 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.642 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 61.9 t -82.99 134.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.815 -0.63 . . . . 71.24 111.084 176.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.612 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 60.7 tt0 -133.94 125.17 27.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.805 -0.813 . . . . 65.24 108.805 171.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -61.85 131.31 49.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.157 0.503 . . . . 72.01 111.385 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.245 0.835 0 CA-C-N 115.461 -0.79 . . . . 53.23 109.366 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 tpp . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.978 0.418 . . . . 61.03 110.16 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -113.04 159.23 19.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.896 -0.593 . . . . 62.34 110.13 -176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? -131.33 125.73 33.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.073 -0.714 . . . . 73.51 109.073 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . -162.8 -153.11 7.06 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.116 -1.04 . . . . 34.14 112.937 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.0 m -132.66 142.59 49.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.644 -0.278 . . . . 74.21 110.287 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 41' ' ' LEU . 46.8 t -71.17 124.37 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.826 -0.435 . . . . 71.25 109.826 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -95.89 -42.26 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.075 -0.25 . . . . 63.02 111.559 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -160.28 159.38 31.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.833 -0.432 . . . . 75.0 109.833 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.464 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 6.4 p90 -141.87 110.96 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.402 0.62 . . . . 75.33 110.262 177.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.514 HD21 ' HB2' ' A' ' 15' ' ' PHE . 7.5 p-10 -81.48 81.98 7.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 122.37 1.081 . . . . 74.0 110.058 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.81 -16.72 64.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.692 -1.14 . . . . 53.22 111.089 -177.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.85 -31.31 64.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.727 -0.67 . . . . 52.4 111.067 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -125.64 0.44 7.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.496 -0.32 . . . . 73.34 111.372 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.499 ' HA2' ' HE2' ' A' ' 30' ' ' PHE . . . 81.71 42.71 8.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.639 -0.791 . . . . 43.52 113.078 174.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.514 ' HB2' HD21 ' A' ' 10' ' ' ASN . 94.2 m-85 -137.09 -173.68 3.52 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.452 -0.573 . . . . 61.14 109.452 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 9' ' ' PHE . . . -172.07 176.14 45.19 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.665 -0.778 . . . . 44.35 111.888 173.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -121.63 133.0 54.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.672 -0.492 . . . . 75.02 109.672 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.9 mt -112.57 143.93 21.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.876 -0.602 . . . . 72.04 109.533 177.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.71 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 37.2 tt0 -101.25 117.33 34.76 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.917 -0.583 . . . . 50.02 110.031 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 24.2 ptt180 -107.05 -174.86 2.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.547 -0.908 . . . . 73.54 108.547 175.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.87 -45.4 78.2 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.944 -0.303 . . . . 65.25 111.11 -177.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -96.8 18.59 14.15 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.536 0.569 . . . . 71.22 112.536 -175.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.488 ' O ' ' HG2' ' A' ' 20' ' ' ARG . . . 165.95 137.88 2.3 Favored Glycine 0 C--O 1.227 -0.319 0 C-N-CA 119.449 -1.358 . . . . 70.3 113.691 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.71 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.4 p-10 -115.24 58.08 0.72 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.564 0.697 . . . . 64.31 110.032 178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -152.48 30.35 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.339 -0.846 . . . . 43.22 109.381 -175.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.76 120.06 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.829 -0.623 . . . . 62.1 110.681 -176.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -73.9 111.81 9.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.029 -0.532 . . . . 73.04 111.094 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 p -98.79 138.92 21.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.21 0.528 . . . . 72.21 110.313 176.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -125.98 149.91 48.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.419 -0.809 . . . . 72.21 109.307 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.668 ' HA ' HG12 ' A' ' 33' ' ' ILE . 65.2 m-85 -64.94 -14.67 60.7 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.112 0.412 . . . . 61.02 112.112 -175.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 m -70.58 -3.51 18.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.984 0.421 . . . . 62.22 111.01 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.71 11.13 16.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 60.13 110.985 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.668 HG12 ' HA ' ' A' ' 30' ' ' PHE . 50.9 mm -87.77 134.23 28.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.551 -0.295 . . . . 71.21 110.538 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -80.64 -176.0 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 72.23 110.452 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.98 89.73 0.88 Allowed Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.404 -0.903 . . . . 71.5 111.67 175.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -121.38 156.77 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.1 -0.704 . . . . 55.23 109.1 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.78 -27.48 73.32 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.683 -0.77 . . . . 40.1 111.52 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -117.83 99.58 7.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.758 -0.83 . . . . 75.02 108.758 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.18 -0.03 43.14 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.189 0.518 . . . . 71.31 111.274 -171.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.532 ' HA ' ' HE1' ' A' ' 30' ' ' PHE . 37.8 m -104.05 157.61 16.99 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.085 -0.709 . . . . 63.14 109.085 173.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.584 ' HB3' HG21 ' A' ' 6' ' ' VAL . 84.9 mt -107.45 128.92 54.92 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.769 -0.372 . . . . 63.43 110.538 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -101.11 144.2 30.29 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.321 0.582 . . . . 70.55 110.804 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.04 122.86 17.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.284 -0.871 . . . . 74.25 110.123 -176.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.29 -21.64 10.71 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.297 -0.954 . . . . 61.5 113.109 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -81.27 138.21 35.76 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.573 -0.851 . . . . 61.12 110.304 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.89 134.26 33.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.774 -0.648 . . . . 74.04 110.79 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.9 m -138.61 148.23 24.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.372 0.606 . . . . 64.41 111.523 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.3 m -108.32 132.55 53.6 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.688 -1.227 . . . . 74.2 107.688 170.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -148.89 154.01 38.84 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.871 -0.418 . . . . 74.21 109.871 -171.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -87.06 160.22 18.67 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 119.271 -0.971 . . . . 55.33 109.665 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -120.21 124.08 71.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.437 0.637 . . . . 61.42 111.119 -175.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.483 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 42.7 mt-10 -95.09 124.39 39.1 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.738 -0.838 . . . . 71.43 108.738 174.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.98 128.12 35.64 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.758 -0.46 . . . . 74.2 109.758 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.53 153.47 38.89 Favored Glycine 0 N--CA 1.439 -1.108 0 C-N-CA 120.579 -0.819 . . . . 63.42 113.304 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -73.93 -20.75 60.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.737 -0.838 . . . . 63.35 108.737 171.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.0 mtp85 -150.93 -54.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.312 -1.313 . . . . 73.0 108.493 175.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.402 ' HA2' ' HD3' ' A' ' 58' ' ' PRO . . . -116.56 144.28 18.37 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.117 -0.947 . . . . 63.41 111.048 173.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.402 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 13.7 Cg_exo -69.34 137.99 38.06 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 123.16 2.573 . . . . 63.42 112.287 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.483 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 14.1 pt20 -119.73 152.36 37.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.269 -0.423 . . . . 64.22 110.395 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.46 142.51 27.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 52.41 111.894 -175.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB2' ' HG3' ' A' ' 52' ' ' GLU . . . -122.7 152.77 40.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.415 -0.812 . . . . 54.31 108.934 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.7 p30 23.24 101.59 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.283 1.216 . . . . 65.53 114.283 -173.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.9 t -97.12 110.41 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.584 -1.189 . . . . 71.44 110.887 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -100.91 154.15 18.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.375 -0.83 . . . . 64.44 109.56 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -81.22 130.34 34.99 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.813 -0.44 . . . . 74.34 109.813 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.613 -0.708 . . . . 64.41 110.444 -178.022 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HA ' ' OD1' ' A' ' 50' ' ' ASP . 26.3 ptt? . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.666 0.269 . . . . 62.33 110.288 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.596 ' HG3' ' H ' ' A' ' 3' ' ' GLN . 4.5 tp10 -145.25 175.26 10.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.145 -0.48 . . . . 71.44 110.042 -174.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.596 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 23.5 tm0? -146.21 140.46 26.59 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 107.834 -1.173 . . . . 61.33 107.834 172.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.54 -153.6 8.12 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 119.461 -1.352 . . . . 71.1 113.397 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.3 m -142.53 145.73 33.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.565 -0.317 . . . . 74.32 110.202 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.89 114.38 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.73 -0.47 . . . . 44.32 109.73 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -74.15 -49.26 24.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.031 0.443 . . . . 74.35 110.175 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -166.69 171.48 11.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.846 -0.615 . . . . 61.4 109.356 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -140.35 101.57 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.514 0.674 . . . . 61.43 110.896 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -77.74 82.78 4.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.721 0.772 . . . . 62.31 110.871 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.04 -19.02 63.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.3 -0.864 . . . . 73.44 111.568 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -54.34 -41.13 68.72 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.873 -0.603 . . . . 63.01 110.641 174.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -106.33 -10.64 16.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.641 -0.709 . . . . 65.54 110.623 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.49 36.97 18.7 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.844 -0.693 . . . . 73.43 111.744 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -138.37 -174.93 3.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.566 -0.531 . . . . 73.04 109.566 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.9 174.36 39.23 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 110.968 -0.853 . . . . 64.22 110.968 173.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -117.66 133.71 55.65 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.084 -0.339 . . . . 62.04 110.084 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -116.73 138.25 47.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.905 -0.589 . . . . 74.51 109.543 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.632 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 8.9 pt-20 -108.93 125.09 51.65 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.372 0.606 . . . . 64.41 110.934 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.59 ' HD3' ' HE2' ' A' ' 49' ' ' PHE . 44.1 mtm180 -102.67 168.61 9.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.496 -0.774 . . . . 71.21 110.204 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -77.0 -11.1 59.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.54 0.686 . . . . 71.3 109.779 172.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -111.0 19.58 18.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.06 -0.973 . . . . 75.43 109.63 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.63 118.11 1.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.965 -0.636 . . . . 52.41 111.914 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.632 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 5.3 p-10 -89.75 56.23 3.45 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.634 0.731 . . . . 74.32 111.512 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -156.83 95.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 72.22 110.903 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.826 HG11 ' HZ ' ' A' ' 49' ' ' PHE . 59.7 t -139.54 137.24 40.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.498 . . . . 63.34 110.127 172.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -85.78 111.33 20.05 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.181 -0.303 . . . . 75.34 110.181 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 p -96.27 140.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.259 0.552 . . . . 74.4 110.478 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -129.27 154.08 47.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.331 -0.989 . . . . 64.11 108.331 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.616 ' HA ' HD13 ' A' ' 33' ' ' ILE . 32.9 p90 -67.51 5.14 0.84 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.538 0.57 . . . . 74.32 112.538 -174.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 p -80.34 -19.57 46.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.803 0.335 . . . . 73.52 111.098 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.64 0.46 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 54.14 111.881 -177.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.616 HD13 ' HA ' ' A' ' 30' ' ' PHE . 2.4 mp -95.58 140.55 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.35 -0.386 . . . . 35.02 110.026 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.491 HE22 ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -106.33 -170.65 1.76 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.395 -0.366 . . . . 72.1 110.456 -178.276 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.85 88.67 1.48 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.374 -0.917 . . . . 71.22 111.733 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -96.87 -20.78 17.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.561 0.696 . . . . 73.15 110.587 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.55 -39.92 2.3 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.828 -1.309 . . . . 70.11 109.828 -172.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -105.57 109.59 21.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.893 -0.78 . . . . 73.3 108.893 172.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 8.47 25.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.346 0.593 . . . . 74.31 110.606 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -120.04 162.75 18.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.326 -0.852 . . . . 64.15 109.123 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.88 147.74 29.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.75 0.31 . . . . 72.4 110.998 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.58 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 16.8 m-20 -111.02 132.45 54.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.955 -0.566 . . . . 63.04 110.102 178.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.36 113.31 6.57 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.237 0.541 . . . . 73.54 110.112 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.06 -4.96 28.75 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.328 -0.939 . . . . 43.42 113.534 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 12.2 pt20 -83.02 144.41 29.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.773 0.786 . . . . 71.02 110.34 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.6 142.87 27.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.985 -0.552 . . . . 73.32 110.78 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -145.2 153.94 14.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.25 -0.432 . . . . 64.2 111.192 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.8 m -85.91 133.72 33.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.225 -1.398 . . . . 71.41 107.225 167.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.826 ' HZ ' HG11 ' A' ' 26' ' ' VAL . 1.9 t80 -152.61 141.77 21.38 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.058 -0.657 . . . . 70.2 111.154 -165.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 26.8 t70 -110.03 146.25 35.65 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.429 -0.508 . . . . 75.42 109.696 174.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.22 129.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.904 0.383 . . . . 74.13 111.025 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -116.03 136.7 52.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.174 -0.466 . . . . 74.11 109.765 174.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.68 139.32 53.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.876 -0.602 . . . . 70.13 110.374 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -131.78 174.03 20.32 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.825 -0.703 . . . . 72.11 111.845 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -64.12 107.87 1.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.484 0.183 . . . . 62.35 110.881 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 56' ' ' ARG . 44.8 mtp180 65.16 20.83 12.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.885 -0.598 . . . . 74.22 111.797 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.16 129.52 1.06 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.597 -0.811 . . . . 74.33 112.38 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.24 143.62 35.79 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.746 2.298 . . . . 72.44 111.817 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -114.62 162.65 16.49 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.118 0.485 . . . . 62.13 110.752 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.559 ' HA ' ' HE1' ' A' ' 49' ' ' PHE . . . -73.77 135.33 43.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.27 -0.877 . . . . 45.13 111.692 -177.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 50' ' ' ASP . . . -134.25 114.97 13.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.831 -0.622 . . . . 65.15 109.833 175.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 64.39 91.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.025 0.44 . . . . 74.3 110.736 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.51 101.63 12.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.2 -0.667 . . . . 72.24 109.2 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.491 ' HA ' HE22 ' A' ' 34' ' ' GLN . 62.9 tt0 -103.49 135.15 45.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.149 -175.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -64.04 131.45 47.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.362 -0.381 . . . . 63.33 110.559 -177.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.573 -0.727 . . . . 71.12 110.211 178.804 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 109.274 -0.639 . . . . 54.42 109.274 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -88.88 90.48 8.43 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.567 -0.742 . . . . 71.33 111.509 -166.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -92.7 124.74 36.93 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.533 -0.914 . . . . 71.13 108.533 173.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.42 -157.96 13.48 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.087 -1.054 . . . . 73.04 112.691 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.3 m -117.96 138.81 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.661 0.267 . . . . 74.54 110.524 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.19 109.17 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.681 -0.488 . . . . 74.23 109.681 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -70.12 -58.31 3.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.174 -0.467 . . . . 73.33 110.124 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -166.94 140.32 3.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.014 -0.539 . . . . 74.11 109.985 -176.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.695 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 8.0 p90 -115.24 94.85 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.587 0.708 . . . . 55.14 110.108 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -68.68 89.76 0.39 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.682 -0.69 . . . . 54.44 111.707 -175.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.93 -14.32 62.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.617 -0.72 . . . . 65.3 110.445 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -55.4 -37.06 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.292 -0.867 . . . . 73.24 110.507 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -118.53 -11.79 9.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.732 -0.667 . . . . 73.22 110.643 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.26 43.58 6.2 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.876 -0.602 . . . . 60.33 112.439 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -139.41 -167.4 2.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.014 0.435 . . . . 74.43 110.633 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.695 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -162.81 160.15 32.56 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.288 -0.725 . . . . 72.04 111.288 176.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 94.0 m-85 -135.61 134.55 39.42 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.114 0.483 . . . . 73.14 110.868 178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.538 HG12 ' CG2' ' A' ' 28' ' ' VAL . 41.4 mm -109.05 146.37 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.43 -0.805 . . . . 52.21 109.716 177.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -102.35 127.21 49.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.47 -0.567 . . . . 74.15 109.47 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -123.67 175.33 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.362 0.601 . . . . 72.32 112.309 -171.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.64 -48.3 60.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.948 -1.024 . . . . 70.13 111.112 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -97.09 -21.23 17.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.844 -0.616 . . . . 72.52 111.181 -172.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.42 152.39 21.96 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.482 -0.866 . . . . 63.14 112.874 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -112.55 143.08 44.31 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.354 -0.239 . . . . 72.1 110.354 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 54.28 77.94 0.18 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.715 -0.675 . . . . 70.15 111.609 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 40.9 t -86.14 134.35 27.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.661 -0.7 . . . . 50.5 109.327 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -70.8 109.75 5.17 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.547 0.53 . . . . 71.12 111.708 -173.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.538 ' CG2' HG12 ' A' ' 18' ' ' ILE . 46.8 t -102.96 131.44 51.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.974 -0.38 . . . . 73.12 109.974 175.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.17 151.1 50.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.87 -0.605 . . . . 64.24 109.823 178.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.436 ' HZ ' ' HD3' ' A' ' 39' ' ' LYS . 13.7 t80 -60.91 -20.74 62.53 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.153 0.427 . . . . 72.21 112.153 -170.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -64.09 -20.33 65.88 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.946 0.403 . . . . 52.43 111.287 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.569 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -92.1 -10.47 38.87 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.903 0.382 . . . . 72.32 111.787 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.423 HG21 ' O ' ' A' ' 39' ' ' LYS . 26.8 mm -80.85 137.52 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.921 -0.582 . . . . 74.34 110.67 -174.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -111.64 -176.9 3.05 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.141 -0.689 . . . . 75.05 109.141 172.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.52 88.84 1.18 Allowed Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 119.927 -1.13 . . . . 55.33 111.81 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -112.67 79.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.105 -0.702 . . . . 55.1 109.105 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.93 -55.98 3.51 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.268 -0.733 . . . . 54.31 111.268 -171.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -133.48 168.62 18.29 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.299 -0.63 . . . . 53.34 109.299 176.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HD3' ' HZ ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -105.52 7.99 33.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.535 0.683 . . . . 63.21 109.719 173.313 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -111.08 138.34 47.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.086 -0.961 . . . . 70.32 109.017 174.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.4 mt -105.84 135.25 47.61 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.76 -0.459 . . . . 70.24 109.76 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 3.8 p-10 -96.19 125.59 40.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.604 0.716 . . . . 60.43 110.691 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.473 ' HG3' ' HE1' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -64.02 132.56 50.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.85 -0.614 . . . . 43.21 110.615 -178.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.59 -15.63 24.35 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.587 -0.733 . . . . 54.03 112.087 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 3.9 pt20 -84.39 152.01 24.33 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.856 0.36 . . . . 54.2 110.775 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.63 123.39 40.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.014 -0.539 . . . . 65.44 110.001 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.8 m -139.19 172.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.42 -0.354 . . . . 62.13 111.08 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.52 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 21.7 m -123.73 145.27 49.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.755 -0.657 . . . . 72.23 109.735 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.73 ' CE2' HG22 ' A' ' 63' ' ' VAL . 60.6 m-85 -135.61 150.2 49.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.176 0.512 . . . . 74.32 110.873 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -86.71 150.97 23.8 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.309 -0.997 . . . . 62.02 108.309 167.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p -107.58 134.64 48.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.251 0.548 . . . . 64.51 111.929 -170.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -123.33 123.57 41.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.471 -0.786 . . . . 73.23 109.915 173.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -90.36 114.62 26.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.011 0.434 . . . . 70.54 109.993 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -116.19 -171.15 16.05 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.84 -0.695 . . . . 73.33 113.032 -175.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -83.84 -18.5 37.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.884 0.374 . . . . 64.13 110.914 -176.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.775 ' HA ' ' HE ' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -91.56 -37.75 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.109 0.481 . . . . 73.4 109.977 177.408 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.5 -170.29 38.04 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.539 -0.755 . . . . 54.35 111.262 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -70.42 114.47 3.82 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.382 2.055 . . . . 74.14 111.903 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -95.97 136.96 35.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.452 . . . . 73.24 110.454 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' HB3' HG22 ' A' ' 28' ' ' VAL . . . -89.28 115.0 26.44 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.98 -0.748 . . . . 73.1 108.98 174.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.569 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -121.71 164.86 16.68 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.002 -0.544 . . . . 52.54 110.152 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.0 m120 51.92 90.68 0.02 OUTLIER 'General case' 0 C--O 1.242 0.67 0 O-C-N 123.43 0.456 . . . . 61.04 111.171 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.73 HG22 ' CE2' ' A' ' 49' ' ' PHE . 44.1 t -75.53 113.18 14.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 70.13 111.289 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.52 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 36.4 tt0 -106.37 135.95 46.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.254 -0.647 . . . . 62.22 109.254 175.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.467 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 13.4 tptm -86.64 148.77 25.32 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 121.044 -0.262 . . . . 72.22 110.495 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.667 -0.682 . . . . 74.13 110.07 179.264 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 mtp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.595 0.236 . . . . 63.04 110.778 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 26.3 mm-40 -96.26 81.83 3.36 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 120.036 -0.666 . . . . 72.54 109.499 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -114.02 143.68 44.35 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.834 -0.621 . . . . 41.1 109.797 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . 176.96 -176.46 48.06 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.594 -0.812 . . . . 74.33 112.195 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.9 m -91.04 132.55 35.94 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.838 0.351 . . . . 75.43 110.593 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 50.4 t -68.27 110.77 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.358 -0.608 . . . . 65.44 109.358 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -68.93 -61.97 1.58 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.387 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.9 t90 -178.46 140.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 74.21 109.553 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.901 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 17.6 p90 -99.34 113.69 26.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.206 0.527 . . . . 72.22 110.283 178.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -73.52 83.59 1.51 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.803 0.811 . . . . 61.32 110.959 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.49 -12.06 28.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.98 -1.009 . . . . 73.43 110.966 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -54.71 -44.87 73.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.738 -0.665 . . . . 63.31 110.405 174.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.73 -3.21 13.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 62.31 110.576 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.13 47.64 6.42 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.666 -0.697 . . . . 51.34 112.43 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -137.04 -165.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.493 -0.558 . . . . 70.25 109.493 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.901 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -157.73 161.73 31.6 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.8 -0.714 . . . . 55.42 112.034 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -129.23 133.9 47.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.932 0.396 . . . . 73.34 110.321 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.545 HG13 HG21 ' A' ' 28' ' ' VAL . 70.2 mt -129.83 145.84 35.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.232 -0.655 . . . . 61.43 109.232 176.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.415 ' O ' ' HA3' ' A' ' 4' ' ' GLY . 27.1 tt0 -111.69 119.06 37.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.752 0.31 . . . . 75.31 110.365 -176.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -90.03 157.63 17.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.892 0.377 . . . . 63.1 110.615 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.98 -13.47 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.824 0.821 . . . . 75.23 108.861 169.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -112.57 18.71 18.16 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.855 -1.066 . . . . 65.01 110.368 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.5 108.44 0.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.217 -0.992 . . . . 43.34 112.642 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.44 143.9 46.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.841 0.353 . . . . 53.41 111.599 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.9 t70 63.94 99.4 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.179 -0.918 . . . . 72.13 112.57 175.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.1 t -120.36 134.63 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.676 -0.693 . . . . 71.41 110.185 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -81.8 106.09 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 73.31 110.626 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.545 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 62.0 t -88.43 132.01 34.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.063 -0.517 . . . . 71.23 111.056 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -118.94 177.75 4.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.899 -0.591 . . . . 54.3 109.968 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' HA ' HD13 ' A' ' 33' ' ' ILE . 50.6 p90 -67.27 -12.06 59.13 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.715 0.293 . . . . 61.23 111.486 -177.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 p -76.43 -15.87 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.093 0.473 . . . . 54.13 111.13 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.478 ' HB1' HG23 ' A' ' 63' ' ' VAL . . . -83.61 -29.67 27.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 72.12 110.694 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 30' ' ' PHE . 1.8 mp -62.63 136.95 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 73.42 110.299 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.444 ' H ' ' CD ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -101.43 176.77 5.13 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.807 -0.633 . . . . 71.31 110.734 -176.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 37' ' ' GLY . . . -78.59 -135.87 1.04 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.853 -0.689 . . . . 70.44 112.065 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 71.32 -40.02 0.47 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.255 0.622 . . . . 75.11 111.58 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 35' ' ' GLY . . . 138.2 27.13 0.31 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.793 -0.523 . . . . 61.12 111.793 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.99 161.08 15.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.246 0.546 . . . . 74.21 111.787 -175.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.28 -30.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.749 -1.114 . . . . 65.42 108.61 174.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 m -94.92 124.42 38.96 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.369 -0.832 . . . . 64.21 109.321 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.5 mt -106.63 148.03 28.81 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.784 -0.45 . . . . 71.1 109.784 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 6.2 m-20 -82.29 121.23 26.4 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.087 0.47 . . . . 74.31 110.28 -176.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.72 117.7 16.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.393 0.616 . . . . 75.41 110.179 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.45 -14.62 13.23 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.428 -0.805 . . . . 74.51 112.616 -175.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 23.9 pt20 -90.26 157.34 17.73 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.515 0.657 . . . . 74.34 110.737 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.65 135.38 40.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 73.34 110.774 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.4 m -135.49 163.8 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.338 -0.392 . . . . 53.02 110.88 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 m -119.68 134.38 55.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.409 -0.589 . . . . 75.44 109.409 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' A' ' 63' ' ' VAL . 46.4 p90 -150.38 -176.26 5.41 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 110.251 -0.277 . . . . 61.54 110.251 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -119.27 161.1 20.98 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.107 -0.637 . . . . 74.11 109.461 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 58' ' ' PRO . 8.9 p -129.82 140.55 48.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 120.305 -0.558 . . . . 70.31 111.598 -172.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -103.07 102.13 12.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.957 -0.565 . . . . 65.52 109.572 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.579 ' HG2' ' HB3' ' A' ' 58' ' ' PRO . 35.9 mt-10 -85.13 120.99 27.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.096 -0.705 . . . . 44.41 109.096 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -120.75 -154.9 9.43 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.237 -0.982 . . . . 64.21 113.438 -173.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -80.27 21.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 123.393 0.677 . . . . 75.33 112.564 -172.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -155.45 -54.27 0.09 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.947 0.403 . . . . 74.22 110.248 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.68 177.88 36.0 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.622 -0.799 . . . . 62.13 111.72 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.579 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 97.7 Cg_endo -87.67 122.32 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.041 2.494 . . . . 64.04 112.645 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -100.22 133.9 43.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.77 -0.456 . . . . 71.24 109.77 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.545 ' HB3' ' HA ' ' A' ' 28' ' ' VAL . . . -79.67 135.3 36.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.687 0.28 . . . . 62.12 111.282 -178.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.96 139.77 34.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.014 -0.539 . . . . 54.13 110.304 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.432 ' N ' ' HA ' ' A' ' 32' ' ' ALA . 3.6 t30 55.17 97.47 0.02 OUTLIER 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.819 0.818 . . . . 74.01 112.119 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.478 HG23 ' HB1' ' A' ' 32' ' ' ALA . 86.2 t -107.16 119.46 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.327 -0.851 . . . . 73.53 111.02 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -99.9 136.57 39.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.739 -0.664 . . . . 71.2 109.299 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -63.95 124.73 22.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.46 -0.336 . . . . 74.41 110.34 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.688 0 CA-C-O 118.504 -0.76 . . . . 52.05 109.553 179.305 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mmt . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.676 0.274 . . . . 65.3 110.711 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -91.42 112.69 24.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.622 0.249 . . . . 74.22 111.623 -173.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -104.5 116.97 33.02 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.375 -0.602 . . . . 74.54 109.375 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.95 -177.45 20.65 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.355 -0.926 . . . . 64.34 113.018 -174.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 m -94.01 127.56 39.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.748 0.308 . . . . 23.21 111.192 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.555 ' HA ' HG12 ' A' ' 18' ' ' ILE . 48.5 t -68.15 124.75 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.34 109.931 176.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -80.23 -56.13 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.294 -0.632 . . . . 53.35 109.294 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -176.88 154.19 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.84 -0.618 . . . . 74.53 109.671 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 8.0 p90 -106.85 102.75 12.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.605 0.717 . . . . 74.42 110.807 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 10' ' ' ASN . 1.7 p30 -77.95 77.22 4.46 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.839 0.828 . . . . 63.45 110.97 -178.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.03 -15.55 62.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.127 -0.942 . . . . 70.11 110.923 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.0 -35.04 70.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.543 -0.753 . . . . 74.23 110.387 177.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -111.89 -9.42 14.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 75.1 110.385 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.89 34.97 7.96 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.971 -0.559 . . . . 51.55 112.884 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -138.11 -172.84 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.188 -0.301 . . . . 53.43 110.188 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -156.72 152.47 23.84 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.344 -0.702 . . . . 71.43 111.344 174.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -113.36 134.55 54.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.945 0.402 . . . . 72.23 110.661 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.555 HG12 ' HA ' ' A' ' 6' ' ' VAL . 57.5 mt -130.16 142.04 44.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.505 -0.77 . . . . 55.33 109.508 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -104.81 118.76 37.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.11 -0.495 . . . . 74.44 110.086 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 12.7 mmm180 -110.78 176.96 4.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.202 0.525 . . . . 65.44 111.695 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -76.6 -47.53 22.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.885 . . . . 64.11 111.626 -174.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -91.92 -16.22 26.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.115 0.483 . . . . 41.44 110.395 -176.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . -153.74 129.69 2.74 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.796 -0.716 . . . . 74.51 112.238 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -106.83 167.24 10.01 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.757 -0.46 . . . . 75.32 109.757 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 62.22 55.62 2.37 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.421 0.629 . . . . 64.52 110.28 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.28 132.89 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.736 -0.666 . . . . 73.1 110.326 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -89.3 117.42 28.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 70.43 111.126 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.544 HG12 ' HB3' ' A' ' 60' ' ' ALA . 3.1 m -106.41 149.92 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.747 -0.464 . . . . 73.44 109.747 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -126.83 140.63 52.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.499 -0.318 . . . . 63.1 110.621 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.59 ' HA ' HD13 ' A' ' 33' ' ' ILE . 89.8 t80 -53.34 -35.41 60.21 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.973 0.731 . . . . 72.33 112.973 -172.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -65.82 -10.76 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.472 0.545 . . . . 51.45 112.472 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.01 -12.62 38.07 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.053 0.454 . . . . 74.42 110.745 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 30' ' ' PHE . 2.0 mp -83.36 133.4 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 74.05 110.292 -177.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -81.74 154.63 25.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.137 -0.483 . . . . 75.23 109.926 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.95 -149.73 25.45 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.195 -1.003 . . . . 75.41 113.249 -176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t70 68.2 98.74 0.06 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.389 0.614 . . . . 74.33 110.914 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.01 -65.12 3.94 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.563 -0.744 . . . . 54.1 112.469 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.61 147.28 40.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.154 0.502 . . . . 71.12 111.403 -176.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 20.24 0.93 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.163 -0.926 . . . . 70.41 108.734 173.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -133.36 155.43 49.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.635 -1.166 . . . . 65.34 109.386 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.9 mt -110.5 134.42 52.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.612 0.244 . . . . 61.05 110.436 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 11.2 m-20 -83.27 124.25 30.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.604 -0.517 . . . . 71.14 109.604 175.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -69.41 116.52 9.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.991 -0.549 . . . . 65.35 110.354 -179.013 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.13 -13.82 31.25 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.62 -0.8 . . . . 72.42 112.71 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 16.0 pt20 -86.41 158.24 19.65 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 117.1 0.45 . . . . 73.21 110.457 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.05 136.04 33.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.97 -0.559 . . . . 61.34 110.234 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.54 161.04 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.558 -0.292 . . . . 75.54 110.65 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.54 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 9.3 m -105.89 133.89 49.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.396 -0.366 . . . . 54.34 110.275 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.641 ' CE2' HG22 ' A' ' 63' ' ' VAL . 12.3 m-85 -136.47 158.02 45.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.111 -0.495 . . . . 65.42 109.758 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -110.51 107.41 17.04 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.59 -0.522 . . . . 75.24 109.59 170.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.38 147.03 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 51.13 111.303 -172.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -136.86 117.38 13.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.402 -0.817 . . . . 73.04 110.272 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.39 109.77 9.2 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.84 -0.8 . . . . 75.34 108.84 172.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -117.74 -148.5 8.68 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.562 -0.828 . . . . 63.4 113.732 -171.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -80.17 40.16 0.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.768 0.655 . . . . 54.31 112.768 -170.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 179.33 -27.3 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.703 0.287 . . . . 65.25 111.31 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.35 -168.93 37.51 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.713 -0.756 . . . . 75.15 111.719 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.85 103.47 1.58 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.932 2.421 . . . . 71.41 112.08 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -102.38 134.1 46.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.892 -0.595 . . . . 72.34 109.765 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.544 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -97.24 128.44 44.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.042 0.448 . . . . 72.01 111.392 -177.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.01 177.41 7.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.672 -0.694 . . . . 72.01 109.45 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 55.73 90.38 0.03 OUTLIER 'General case' 0 C--O 1.239 0.532 0 O-C-N 123.567 0.542 . . . . 72.42 110.98 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.641 HG22 ' CE2' ' A' ' 49' ' ' PHE . 47.6 t -94.67 124.43 47.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.036 -0.529 . . . . 72.31 111.732 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.54 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 35.1 tt0 -121.63 132.37 54.62 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.99 -0.744 . . . . 74.15 108.99 174.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -74.57 134.73 42.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.02 0.438 . . . . 61.21 111.271 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-N 115.612 -0.722 . . . . 74.23 109.352 173.562 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.081 0.467 . . . . 74.23 110.492 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.535 ' OE2' ' HD2' ' A' ' 20' ' ' ARG . 7.6 tp10 -132.45 160.89 35.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.377 -0.829 . . . . 74.04 109.074 -175.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -136.61 147.27 46.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.762 0.315 . . . . 65.51 110.691 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.556 ' HA3' ' HA ' ' A' ' 20' ' ' ARG . . . -178.2 -150.32 8.6 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.7 -0.762 . . . . 54.14 112.592 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 m -139.0 138.8 37.57 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.169 -0.308 . . . . 74.34 110.169 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.14 122.19 17.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.583 -0.28 . . . . 72.44 111.028 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' H ' ' HA ' ' A' ' 18' ' ' ILE . 10.3 tppt? -74.48 -54.73 6.97 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.63 -0.507 . . . . 74.53 109.63 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.401 ' HA ' ' HB3' ' A' ' 43' ' ' GLU . 27.1 t90 -178.61 139.44 0.18 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.28 -0.873 . . . . 75.25 109.762 173.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.446 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 51.6 t80 -100.97 97.76 8.3 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.667 -0.494 . . . . 74.24 109.667 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -69.0 81.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.746 0.784 . . . . 74.13 111.384 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.06 -14.86 53.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.256 -0.884 . . . . 54.21 111.12 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -57.19 -37.48 72.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.849 -0.614 . . . . 72.14 110.209 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -104.86 -21.83 13.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.608 -0.724 . . . . 64.33 110.402 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.12 27.41 10.95 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.84 -0.695 . . . . 74.02 111.819 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.9 -170.29 3.0 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.791 -0.818 . . . . 73.21 108.791 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 9' ' ' PHE . . . -169.21 163.91 37.54 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.197 -1.001 . . . . 45.34 112.331 176.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -112.16 135.48 52.77 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.518 -0.549 . . . . 74.34 109.518 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.593 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 57.3 mt -127.43 145.06 35.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.11 0.481 . . . . 72.44 110.286 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 51.6 tt0 -101.46 145.15 29.36 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.388 -0.823 . . . . 62.55 109.164 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.556 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 16.2 ptt180 -132.69 171.4 13.91 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.188 -0.301 . . . . 74.51 110.188 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -63.06 -19.81 64.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.095 0.474 . . . . 62.33 110.821 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -102.36 13.25 35.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.709 -0.678 . . . . 53.31 111.817 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.451 ' O ' ' HG2' ' A' ' 20' ' ' ARG . . . 133.79 165.95 11.17 Favored Glycine 0 C--O 1.223 -0.551 0 C-N-CA 120.564 -0.827 . . . . 63.31 112.609 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.525 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 19.8 p-10 -95.86 56.73 1.75 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.472 0.653 . . . . 74.02 110.878 -179.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -140.66 81.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.539 0.685 . . . . 50.34 111.745 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.593 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 84.2 t -133.99 120.2 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.498 -0.774 . . . . 74.32 109.761 171.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -95.74 107.23 19.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.943 0.402 . . . . 73.54 110.729 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -99.55 150.08 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.292 -0.413 . . . . 54.11 110.883 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -144.37 164.83 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.553 . . . . 74.11 109.969 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -51.96 -40.58 61.08 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.272 0.842 . . . . 74.13 113.272 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -63.9 -3.01 2.15 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.033 0.753 . . . . 72.04 113.033 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -97.97 -15.59 20.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.681 0.277 . . . . 70.1 111.627 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.7 mp -87.93 141.94 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.014 -0.539 . . . . 74.2 110.896 -173.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.423 HE22 ' HB ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -117.51 -169.6 1.7 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 55.35 109.924 -179.666 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.89 89.16 0.56 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.28 -0.962 . . . . 21.15 111.833 174.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -100.3 -43.13 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.52 0.676 . . . . 72.52 110.22 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.36 -36.97 0.86 Allowed Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 109.825 -1.31 . . . . 15.41 109.825 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -106.18 168.52 9.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.149 -0.685 . . . . 75.43 109.149 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.64 13.76 24.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.347 0.594 . . . . 72.43 110.65 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 p -156.21 178.53 10.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.399 -0.819 . . . . 74.13 109.545 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -107.51 129.11 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.991 0.424 . . . . 74.33 110.829 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 2.9 m-20 -92.96 131.29 38.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.498 0.666 . . . . 73.43 111.35 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . 2.6 pm0 -57.88 131.41 50.3 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.942 -1.026 . . . . 73.2 110.629 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.5 -24.75 14.83 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.374 -0.917 . . . . 61.34 112.935 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.535 ' OE1' ' HE3' ' A' ' 65' ' ' LYS . 28.2 pt20 -81.0 142.01 33.84 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.024 -0.671 . . . . 72.54 110.763 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.69 135.38 39.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 62.25 110.099 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.0 m -143.47 167.48 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.269 0.556 . . . . 73.51 111.28 -177.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.605 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 24.8 m -108.26 139.47 42.91 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.205 -1.035 . . . . 72.01 108.205 171.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.537 ' CZ ' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -141.02 145.59 36.11 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 121.128 -0.229 . . . . 71.12 110.633 -170.234 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -96.97 156.58 16.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.377 -0.971 . . . . 71.31 108.377 169.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.75 131.52 62.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.473 0.654 . . . . 51.14 112.429 -171.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -119.07 103.21 9.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.11 -0.95 . . . . 63.2 109.055 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.652 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 67.9 mt-10 -71.97 123.18 22.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.032 0.444 . . . . 73.31 110.488 -177.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.3 -148.19 10.11 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.522 -0.763 . . . . 61.11 112.422 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -76.04 -34.56 59.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.809 0.338 . . . . 74.12 111.155 -174.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.45 23.46 1.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 72.01 111.712 -176.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.462 ' HA2' ' HD3' ' A' ' 58' ' ' PRO . . . -173.9 138.27 4.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.147 -1.025 . . . . 62.0 112.796 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.652 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 7.0 Cg_exo -73.1 106.32 2.13 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 123.117 2.545 . . . . 62.22 111.924 176.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -98.64 134.45 41.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.988 0.423 . . . . 74.11 110.112 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 49' ' ' PHE . . . -95.78 146.41 24.56 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.14 -0.482 . . . . 61.0 111.745 -173.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.2 158.42 43.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.377 -0.829 . . . . 61.45 109.533 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 63.1 90.64 0.08 Allowed 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.315 0.384 . . . . 51.31 110.66 -176.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.537 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 62.0 t -83.21 138.3 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.318 -0.401 . . . . 74.41 110.242 173.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.605 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 34.8 tt0 -123.5 125.28 44.62 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.69 -0.856 . . . . 71.21 108.69 169.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HE3' ' OE1' ' A' ' 45' ' ' GLN . 21.1 tptm -77.39 133.23 38.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 73.13 110.427 -175.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.298 -0.858 . . . . 74.4 110.202 179.802 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.484 ' N ' ' HA ' ' A' ' 50' ' ' ASP . 66.6 mtt . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.002 0.43 . . . . 73.14 110.831 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.481 ' OE2' ' HB3' ' A' ' 20' ' ' ARG . 33.1 tt0 -167.9 151.16 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.265 -1.013 . . . . 74.32 108.265 176.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -87.05 125.58 34.2 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.723 -0.391 . . . . 63.41 110.432 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.33 162.52 13.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.879 -0.677 . . . . 61.53 112.195 -177.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.8 m -117.12 126.12 52.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.617 0.246 . . . . 72.02 110.447 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.592 ' HA ' HG12 ' A' ' 18' ' ' ILE . 64.0 t -66.68 121.11 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 62.33 110.964 -177.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.86 -62.03 1.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.582 -0.281 . . . . 51.53 110.404 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -172.71 142.05 1.14 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.254 -0.43 . . . . 72.52 110.308 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.454 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 44.3 m-85 -101.69 107.21 18.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.358 -0.383 . . . . 74.31 110.688 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -73.31 77.5 1.34 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 122.393 1.092 . . . . 73.14 109.905 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.61 -11.21 42.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.61 -1.177 . . . . 60.53 111.798 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.48 -38.9 78.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.544 . . . . 60.24 110.359 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -110.76 -7.79 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.06 0.457 . . . . 75.33 110.441 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.68 44.21 5.86 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.763 -0.732 . . . . 72.1 112.487 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -138.99 -169.56 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.52 -0.548 . . . . 61.4 109.52 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -167.37 167.13 39.72 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.479 -0.867 . . . . 50.31 112.221 175.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -120.17 135.23 55.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.658 -0.497 . . . . 74.23 109.658 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.761 HD12 ' HE2' ' A' ' 49' ' ' PHE . 27.8 mt -133.92 144.38 35.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.11 -0.496 . . . . 74.23 109.692 177.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -100.59 150.23 22.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.625 -0.261 . . . . 73.22 110.513 -174.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.503 ' HD2' HG21 ' A' ' 51' ' ' VAL . 74.2 mtp180 -116.61 174.01 6.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.994 0.426 . . . . 75.34 110.756 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -84.91 -36.51 21.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.654 -0.703 . . . . 73.12 109.414 171.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -103.7 5.17 36.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.78 -0.645 . . . . 62.53 111.566 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . -157.28 160.76 30.75 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.638 -0.792 . . . . 72.24 112.459 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -119.73 152.36 37.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.916 -0.167 . . . . 60.43 110.725 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.7 t70 46.92 79.56 0.06 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 124.355 1.035 . . . . 64.33 112.313 172.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -104.85 137.12 35.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.048 -0.524 . . . . 61.32 110.225 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -84.05 116.86 23.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.414 0.626 . . . . 74.43 111.054 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.595 HG23 ' HZ ' ' A' ' 49' ' ' PHE . 7.7 p -108.45 145.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.545 -0.752 . . . . 65.43 109.872 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -139.07 167.27 22.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.681 -0.691 . . . . 71.32 109.767 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.581 ' HA ' HD13 ' A' ' 33' ' ' ILE . 95.4 m-85 -67.36 -8.53 33.41 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.999 0.37 . . . . 73.14 111.999 -172.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -66.88 -21.43 66.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.135 0.493 . . . . 75.4 110.238 173.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . . . -89.28 -19.42 25.36 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.753 -0.658 . . . . 70.35 110.967 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.581 HD13 ' HA ' ' A' ' 30' ' ' PHE . 1.7 mp -72.77 133.48 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.605 -0.725 . . . . 73.41 110.681 -177.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.82 -175.49 5.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.697 -0.683 . . . . 70.51 111.477 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.25 -129.45 4.02 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.873 -0.679 . . . . 62.22 112.691 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.18 127.5 32.43 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.21 0.529 . . . . 74.42 111.352 -176.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.37 -84.77 0.17 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.235 -0.746 . . . . 71.24 111.235 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -151.93 85.22 1.29 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.089 -0.708 . . . . 75.43 109.089 174.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.75 4.87 53.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.441 -0.799 . . . . 75.05 111.957 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 m -110.05 137.18 48.17 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.493 -0.558 . . . . 74.13 109.493 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.421 HD12 ' CZ ' ' A' ' 9' ' ' PHE . 89.0 mt -119.31 129.41 54.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.865 0.364 . . . . 75.33 111.127 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.16 140.96 30.11 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 115.752 -0.658 . . . . 71.22 111.012 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HG3' ' H ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -62.96 134.64 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 63.4 111.091 -179.437 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.62 -10.9 62.93 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 120.51 -0.852 . . . . 54.44 113.142 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.529 ' NE2' ' HE2' ' A' ' 65' ' ' LYS . 1.7 pt20 -91.17 153.25 20.16 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 117.824 0.812 . . . . 60.32 110.676 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -101.52 143.01 32.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.97 -0.559 . . . . 74.43 110.812 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.01 158.55 13.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.965 -0.561 . . . . 70.3 109.675 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.634 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 11.9 m -84.49 134.38 34.44 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.61 -0.885 . . . . 74.21 108.61 173.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.761 ' HE2' HD12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -136.28 145.07 45.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.785 0.326 . . . . 75.11 110.755 -170.388 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.484 ' HA ' ' N ' ' A' ' 1' ' ' MET . 27.4 t70 -101.14 103.75 14.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.372 0.606 . . . . 52.02 109.888 172.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.503 HG21 ' HD2' ' A' ' 20' ' ' ARG . 6.5 p -106.73 140.32 25.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.828 -0.624 . . . . 74.24 111.174 -173.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -135.09 157.42 46.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.684 -0.689 . . . . 72.22 109.892 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -96.11 110.05 22.38 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.026 -0.731 . . . . 65.42 109.026 176.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -99.99 -147.91 21.94 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.652 -0.785 . . . . 51.45 112.936 -172.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -69.99 95.24 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.607 -0.296 . . . . 74.03 110.66 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 56' ' ' ARG . 22.6 ttm-85 76.77 -42.88 0.44 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.291 -0.868 . . . . 63.55 111.761 177.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.84 152.38 18.02 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.671 -0.776 . . . . 70.02 112.879 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.17 128.97 15.41 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.939 2.426 . . . . 60.42 111.759 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -120.15 142.38 49.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.202 -0.454 . . . . 63.34 109.893 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -124.37 145.56 49.38 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.257 -0.577 . . . . 73.05 112.325 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.565 ' HA ' ' HB2' ' A' ' 32' ' ' ALA . . . -139.86 169.77 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.296 -0.865 . . . . 61.04 109.428 177.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 60.38 94.23 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.45 0.3 . . . . 63.11 111.689 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.61 115.38 43.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 C-N-CA 120.041 -0.664 . . . . 75.43 110.479 173.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.634 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 55.0 tt0 -103.98 124.43 49.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.158 -0.682 . . . . 65.43 109.158 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.529 ' HE2' ' NE2' ' A' ' 45' ' ' GLN . 27.4 tptp -69.79 127.91 34.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.106 0.479 . . . . 74.21 111.695 -175.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.71 -0.677 . . . . 45.02 109.178 171.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.677 ' HA ' ' HA ' ' A' ' 50' ' ' ASP . 2.0 mpt? . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.68 0.276 . . . . 74.41 110.323 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -140.39 147.72 40.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.261 -0.427 . . . . 74.34 110.344 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.411 HE21 ' HB1' ' A' ' 46' ' ' ALA . 54.0 tp60 -102.52 117.15 34.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.651 -0.499 . . . . 75.24 109.651 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.59 -174.64 17.02 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.266 -0.969 . . . . 61.21 113.235 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.6 m -118.07 132.38 56.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.625 0.25 . . . . 72.31 110.496 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -70.68 125.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.391 . . . . 73.15 110.368 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 43' ' ' GLU . 21.3 ttmm -81.3 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.886 -0.413 . . . . 72.34 109.886 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 21.2 t90 178.74 151.29 0.3 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.856 -0.611 . . . . 72.45 109.769 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.802 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 6.2 p90 -116.18 90.54 3.36 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 120.763 0.316 . . . . 64.13 110.458 178.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.47 90.77 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.211 0.529 . . . . 42.32 111.159 -156.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.25 -24.05 0.66 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 115.095 1.517 . . . . 70.23 115.095 -172.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.36 -27.46 67.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.164 0.507 . . . . 72.42 110.038 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 7.3 mmpt? -117.9 -20.38 8.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.302 -0.863 . . . . 72.1 109.642 170.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.1 72.94 0.92 Allowed Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.599 -0.728 . . . . 51.1 111.35 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 19.5 m-85 -156.29 122.83 5.12 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 120.036 -0.666 . . . . 73.05 111.778 -168.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.802 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -92.1 147.33 18.67 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.166 -1.016 . . . . 52.25 113.714 -167.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 69.3 m-85 -128.82 134.58 48.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.149 -0.526 . . . . 70.13 109.694 170.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.629 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 56.7 mt -107.49 147.3 12.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-N 115.545 -0.752 . . . . 74.31 109.304 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.813 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 25.9 tt0 -106.61 119.61 39.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.878 -0.601 . . . . 73.42 109.948 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.58 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -132.91 -176.37 4.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.15 0.5 . . . . 64.13 112.033 -176.405 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.3 -21.16 62.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.239 -0.891 . . . . 74.23 111.127 -177.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -103.23 13.24 34.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.301 -0.409 . . . . 64.32 110.453 -175.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.73 166.49 11.34 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.94 -0.648 . . . . 73.54 111.995 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.813 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 13.2 p-10 -120.88 56.73 1.0 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.687 0.756 . . . . 73.42 110.935 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -147.77 44.61 1.1 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.442 -0.799 . . . . 71.34 110.013 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 44.3 t -84.3 115.0 25.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 71.24 109.856 178.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -73.87 112.56 10.11 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.717 -0.674 . . . . 74.35 112.126 -173.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.532 ' HB ' ' HA3' ' A' ' 16' ' ' GLY . 47.1 t -94.14 110.69 23.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.059 -0.519 . . . . 74.22 110.046 175.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -100.32 141.95 32.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.756 -0.656 . . . . 74.44 110.451 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' O ' HG22 ' A' ' 33' ' ' ILE . 38.2 p90 -71.5 -1.02 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.9 -0.591 . . . . 74.22 112.476 -173.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.3 p -84.14 -3.58 58.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.891 0.377 . . . . 70.41 111.271 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -124.98 8.12 8.04 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 116.321 -0.399 . . . . 43.01 111.734 -177.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.677 HD12 HG21 ' A' ' 63' ' ' VAL . 8.4 tp -91.55 137.41 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 51.34 111.089 -176.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -138.43 148.18 44.13 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.808 -0.812 . . . . 74.03 108.808 172.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.71 173.89 30.16 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.417 -0.896 . . . . 64.12 112.404 -176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -81.07 -46.2 15.35 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.326 -0.62 . . . . 74.54 109.326 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.52 30.76 0.47 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.76 -0.936 . . . . 72.55 110.76 176.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -136.97 168.51 19.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.287 -0.456 . . . . 74.54 109.981 -175.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -133.41 10.19 4.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.024 -0.732 . . . . 54.34 109.024 173.619 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 m -118.26 160.62 21.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.172 -0.922 . . . . 55.43 110.454 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -117.91 144.35 45.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.042 -0.526 . . . . 72.04 109.743 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -82.61 126.66 32.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.963 0.411 . . . . 75.15 110.221 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -71.47 118.88 14.84 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.419 -0.586 . . . . 54.22 109.419 178.667 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.79 -7.16 41.6 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.681 -0.771 . . . . 51.01 112.754 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -82.52 147.93 28.38 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.197 0.499 . . . . 73.23 110.274 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -93.1 127.38 38.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.967 -0.56 . . . . 73.33 109.769 176.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.446 HG12 ' HD2' ' A' ' 65' ' ' LYS . 2.4 m -146.17 164.03 9.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.88 0.371 . . . . 54.05 110.96 -177.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.6 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 7.9 m -103.87 135.62 45.06 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.667 -0.697 . . . . 71.34 110.138 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.736 ' CE2' HG22 ' A' ' 63' ' ' VAL . 27.8 m-85 -135.65 142.38 45.16 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.43 -0.581 . . . . 74.53 109.43 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.677 ' HA ' ' HA ' ' A' ' 1' ' ' MET . 27.3 t70 -87.04 103.86 15.77 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.901 -0.777 . . . . 75.35 108.901 173.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.67 138.76 18.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.769 -0.65 . . . . 72.13 111.727 -170.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.769 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 30.6 mt-10 -120.72 150.79 40.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.432 -0.803 . . . . 75.45 109.18 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -92.25 109.72 21.1 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.976 -0.75 . . . . 74.0 108.976 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.55 -171.87 45.26 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.639 -0.791 . . . . 41.41 112.722 -174.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -78.3 -22.46 48.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.025 0.44 . . . . 72.21 110.906 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 56' ' ' ARG . 11.3 mmt180 -108.31 -33.42 7.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 73.31 111.121 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.62 -170.85 43.93 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 111.258 -0.737 . . . . 72.43 111.258 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -65.86 119.51 6.54 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.799 2.333 . . . . 64.33 112.037 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.769 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 10.6 pt20 -106.63 136.23 46.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.972 0.415 . . . . 72.43 110.41 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.516 ' HB1' ' CD2' ' A' ' 49' ' ' PHE . . . -98.84 123.54 43.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 65.2 111.297 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . . . -126.83 163.96 22.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.013 -0.54 . . . . 72.24 109.789 176.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.4 m120 52.71 88.96 0.03 OUTLIER 'General case' 0 C--O 1.239 0.52 0 O-C-N 123.619 0.574 . . . . 73.52 111.428 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.736 HG22 ' CE2' ' A' ' 49' ' ' PHE . 47.2 t -79.67 123.52 36.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.066 -0.516 . . . . 72.3 110.771 176.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.6 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 58.5 tt0 -122.89 125.87 46.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.585 -0.524 . . . . 75.13 109.585 175.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HD2' HG12 ' A' ' 47' ' ' VAL . 27.7 tptp -74.05 126.05 29.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.864 0.364 . . . . 65.03 111.712 -175.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.253 1.273 0 CA-C-O 118.29 -0.862 . . . . 71.34 109.423 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.753 0.311 . . . . 60.32 110.414 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.641 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 69.0 mm-40 -91.46 108.95 20.25 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.646 -0.421 . . . . 75.32 110.491 -178.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.511 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 35.8 tt0 -115.59 127.62 55.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.32 -0.4 . . . . 72.2 110.37 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . -158.03 172.55 35.18 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.804 -0.713 . . . . 72.4 112.106 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 93.6 m -90.98 138.39 31.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.042 0.448 . . . . 71.52 110.936 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.71 123.41 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.828 -0.624 . . . . 55.05 110.338 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 13.8 tppt? -74.91 -57.08 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 70.41 110.065 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -174.95 142.35 0.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.372 -0.603 . . . . 75.23 109.372 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -102.37 97.1 7.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.895 0.379 . . . . 73.35 110.571 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -76.15 79.61 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.672 0.749 . . . . 72.12 111.197 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.02 -20.64 66.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.199 -0.909 . . . . 63.22 110.951 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -54.62 -43.85 72.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.324 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.91 -21.92 21.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 74.11 110.147 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.48 35.68 7.83 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.721 -0.672 . . . . 53.15 111.506 -177.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -144.18 -169.68 3.18 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.832 -0.433 . . . . 75.12 109.832 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.6 160.55 30.0 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.845 -0.693 . . . . 74.15 111.761 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.455 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 69.8 m-85 -111.37 133.91 53.34 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.749 -0.463 . . . . 60.34 109.749 178.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.2 mt -131.11 150.57 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.756 -0.656 . . . . 63.01 109.661 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 2.6 tt0 -98.99 144.91 27.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.943 0.401 . . . . 70.41 110.698 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 50.5 mtp180 -131.8 168.54 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.907 -0.588 . . . . 64.13 109.84 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.99 -27.56 68.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.714 -0.675 . . . . 72.34 110.372 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -96.72 13.23 29.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.738 -0.665 . . . . 54.43 111.236 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.25 148.07 5.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.493 -0.86 . . . . 74.5 112.506 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.682 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 17.0 p-10 -103.93 57.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.421 0.629 . . . . 74.31 111.141 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -131.93 32.35 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.708 -0.678 . . . . 60.4 110.514 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.1 t -87.03 124.83 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.911 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.21 113.79 25.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.107 -0.497 . . . . 71.42 110.666 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.7 p -91.73 143.78 10.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 C-N-CA 120.79 -0.364 . . . . 74.5 110.038 177.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 7.9 p80 -124.82 164.45 20.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.811 -0.631 . . . . 73.0 109.844 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.543 ' HA ' HD13 ' A' ' 33' ' ' ILE . 61.1 m-85 -59.86 -24.37 64.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.584 0.957 . . . . 73.25 113.584 -169.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.481 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.5 m -59.73 -32.72 70.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.943 0.401 . . . . 71.45 110.808 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HB1' HG23 ' A' ' 63' ' ' VAL . . . -80.14 -19.85 46.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.52 110.852 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' A' ' 30' ' ' PHE . 1.7 mp -69.52 140.22 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.487 -0.779 . . . . 54.01 110.861 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.41 -164.41 1.94 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.961 -0.563 . . . . 72.22 110.155 177.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.04 -127.46 4.48 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.663 -0.78 . . . . 74.44 114.278 -170.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 83.15 -72.5 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.469 1.108 . . . . 72.11 110.954 -178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.61 -62.62 0.36 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.703 -0.76 . . . . 72.13 111.928 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -138.77 156.56 47.26 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.532 -0.544 . . . . 75.24 109.532 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.51 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -86.19 -8.78 57.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.613 0.721 . . . . 75.11 109.436 175.012 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 p -85.98 160.96 19.21 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.412 -0.813 . . . . 62.31 108.858 170.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.0 tp -105.99 128.34 53.76 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.584 -0.524 . . . . 61.5 109.584 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 15.6 m-20 -84.58 121.55 27.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.397 0.618 . . . . 52.5 111.897 -172.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 1.0 OUTLIER -67.45 122.51 18.11 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.182 -0.917 . . . . 75.22 109.597 179.21 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.23 -9.41 45.98 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.327 -0.94 . . . . 65.33 113.394 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 2.6 pt20 -88.86 155.95 19.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.728 0.764 . . . . 74.11 110.183 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -104.48 120.03 40.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.646 -0.501 . . . . 55.35 109.646 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.0 m -128.65 148.22 33.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.251 0.548 . . . . 75.43 111.045 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.587 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 5.0 m -92.83 154.88 17.99 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.901 -1.148 . . . . 63.34 107.901 172.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -163.91 174.64 11.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 118.053 0.388 . . . . 75.43 110.871 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 24.3 t70 -95.38 137.24 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.572 -0.74 . . . . 73.52 109.569 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.641 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 7.2 p -95.9 126.25 48.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.204 0.526 . . . . 74.05 111.487 -175.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 1.01 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 35.5 mt-10 -108.05 117.72 34.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.909 -0.587 . . . . 53.11 109.609 174.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.38 108.29 8.07 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.281 -1.007 . . . . 75.3 108.281 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.36 -160.36 36.39 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.9 -0.666 . . . . 74.13 113.042 -171.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -68.67 -33.01 73.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.626 -0.287 . . . . 75.14 111.545 -175.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -148.58 16.86 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.774 -0.37 . . . . 55.24 111.911 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.71 177.26 46.39 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.203 -0.999 . . . . 22.2 112.353 -178.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -87.65 127.76 2.37 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.924 2.416 . . . . 64.33 112.872 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 1.01 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 12.9 pt20 -119.18 159.18 24.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.008 -0.542 . . . . 73.04 110.043 176.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.93 126.18 51.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.131 0.419 . . . . 71.02 112.131 -173.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 50' ' ' ASP . . . -100.18 -178.96 3.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.43 -0.805 . . . . 63.22 109.355 173.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 20.3 p-10 -23.96 126.57 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.282 1.216 . . . . 72.43 114.282 -168.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.55 HG23 ' HB1' ' A' ' 32' ' ' ALA . 95.4 t -95.8 138.65 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.716 -1.129 . . . . 71.11 111.734 -176.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.587 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 35.1 tt0 -110.38 139.32 45.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.422 -0.808 . . . . 71.44 109.06 173.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 147.18 26.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.008 0.432 . . . . 51.01 111.738 -172.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.383 -0.818 . . . . 54.54 109.767 177.418 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.877 0.37 . . . . 73.44 110.923 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.605 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 1.9 pm0 -83.59 96.03 8.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.477 0.656 . . . . 73.44 110.486 -173.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.579 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 33.1 tt0 -100.94 131.81 46.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.066 -0.97 . . . . 74.3 110.126 -177.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.5 168.29 31.54 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.518 -0.849 . . . . 42.21 112.227 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 49.4 m -90.41 128.73 36.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.726 0.298 . . . . 74.51 110.461 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.408 ' HA ' HG12 ' A' ' 18' ' ' ILE . 44.1 t -73.07 104.88 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.475 -0.565 . . . . 73.45 109.475 176.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -70.7 -38.27 73.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.93 0.395 . . . . 64.03 110.205 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.503 ' CZ3' ' HB3' ' A' ' 10' ' ' ASN . 9.3 t90 -156.81 151.4 25.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.13 -0.486 . . . . 64.22 109.871 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -130.63 98.06 4.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 74.2 110.332 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.658 HD22 ' HG3' ' A' ' 13' ' ' LYS . 4.6 p-10 -82.81 76.66 9.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.682 0.753 . . . . 73.22 110.358 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.03 -27.41 68.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.042 -0.981 . . . . 73.31 111.478 -176.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.99 -36.66 82.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.964 0.411 . . . . 74.12 110.147 176.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.658 ' HG3' HD22 ' A' ' 10' ' ' ASN . 10.1 mmpt? -82.92 -24.24 33.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.412 -0.588 . . . . 74.22 109.412 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.24 26.39 16.16 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.265 -0.88 . . . . 54.32 111.546 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -139.31 -176.32 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.063 0.459 . . . . 60.52 110.941 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -154.21 163.0 30.87 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.869 -0.892 . . . . 64.41 110.869 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -122.01 132.86 54.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.124 0.462 . . . . 72.12 110.384 177.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.503 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 46.5 mt -121.88 144.77 30.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.806 -0.634 . . . . 65.05 109.991 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.853 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 15.8 pt-20 -100.27 121.41 41.43 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.033 -0.53 . . . . 73.11 109.636 177.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -124.49 -175.16 3.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.892 -0.595 . . . . 73.21 111.348 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -67.88 -27.12 66.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.888 -1.051 . . . . 63.44 111.589 -174.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -89.11 -21.62 23.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.072 0.463 . . . . 63.14 110.766 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.98 168.6 21.26 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.918 -0.658 . . . . 63.52 111.816 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.853 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.5 p-10 -105.62 56.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.716 0.77 . . . . 70.44 110.734 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -135.48 32.46 3.07 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.383 -0.826 . . . . 53.13 110.368 -178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.503 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 46.5 t -84.67 112.0 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.098 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -76.18 117.19 17.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.763 -0.653 . . . . 74.41 112.012 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -89.99 135.55 26.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.99 -0.55 . . . . 64.51 109.896 175.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 67.7 m80 -102.92 131.88 49.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.877 -0.416 . . . . 70.41 109.877 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.447 ' HA ' HD13 ' A' ' 33' ' ' ILE . 19.6 p90 -59.38 -27.61 66.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.185 0.517 . . . . 73.41 110.413 177.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 t -74.08 -5.26 40.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.794 -0.639 . . . . 61.21 110.927 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.68 -18.93 18.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.545 -0.298 . . . . 60.01 111.276 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.475 HG13 HG21 ' A' ' 63' ' ' VAL . 2.2 mp -76.65 123.83 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 74.05 110.698 -177.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -75.41 119.16 19.12 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.968 -0.753 . . . . 73.21 108.968 171.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.54 -135.77 4.25 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.921 -0.657 . . . . 72.12 112.932 -172.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 70.65 -75.79 0.07 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.455 0.702 . . . . 70.32 110.402 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.81 -52.98 6.65 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.119 -0.563 . . . . 75.32 111.969 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -130.32 118.95 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.833 0.349 . . . . 71.31 110.668 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -96.55 10.61 37.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.062 -0.517 . . . . 75.41 110.949 177.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.0 t -153.57 154.86 35.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.047 -0.524 . . . . 62.5 110.016 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -107.68 134.17 51.04 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.613 -0.514 . . . . 53.35 109.613 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 6.6 m-20 -83.2 122.89 29.0 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.227 -0.442 . . . . 71.31 110.184 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.8 136.71 58.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.435 0.636 . . . . 71.21 110.533 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.31 -21.41 33.18 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.399 -0.819 . . . . 55.31 112.556 -177.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 2.3 pt20 -88.55 154.94 19.93 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 117.374 0.587 . . . . 73.41 110.798 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -96.04 132.87 40.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.892 -0.594 . . . . 61.1 110.158 177.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.0 m -137.68 159.82 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.463 -0.335 . . . . 73.24 110.497 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.592 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 3.8 m -105.41 146.08 29.95 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.432 -0.349 . . . . 75.13 110.381 -177.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CE2' HG22 ' A' ' 63' ' ' VAL . 29.3 m-85 -136.98 171.51 14.39 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 121.127 0.489 . . . . 70.1 111.587 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -102.82 133.44 47.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.699 -1.137 . . . . 74.25 108.706 166.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.605 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 8.0 p -90.59 142.58 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.211 0.529 . . . . 75.13 112.337 -172.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' HG3' ' HG3' ' A' ' 59' ' ' GLN . 5.4 pt-20 -145.32 151.47 38.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.775 -0.648 . . . . 74.02 110.169 173.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -95.2 124.86 39.46 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.631 -0.507 . . . . 63.41 109.631 173.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.07 -167.76 28.09 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.453 -0.88 . . . . 64.45 112.623 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -82.05 3.75 25.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.142 0.496 . . . . 73.45 110.802 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.561 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 4.1 mmp_? -122.44 -56.41 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.926 -0.579 . . . . 65.31 110.653 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.63 -157.24 13.12 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.817 -0.706 . . . . 34.22 111.753 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -67.39 115.38 3.66 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.657 2.238 . . . . 71.12 111.539 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.485 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 12.5 pt20 -128.42 159.45 35.35 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.28 -0.418 . . . . 75.13 110.06 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.84 143.02 47.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.187 0.518 . . . . 70.24 111.95 -173.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.62 166.8 23.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.395 -0.82 . . . . 61.24 109.468 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.3 m120 59.04 99.68 0.02 OUTLIER 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.106 0.479 . . . . 65.04 110.741 -176.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.696 HG22 ' CE2' ' A' ' 49' ' ' PHE . 47.9 t -89.97 132.8 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.669 -0.696 . . . . 52.44 111.451 -178.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.592 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 53.7 tt0 -121.36 124.55 44.83 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.598 -0.89 . . . . 72.05 108.598 171.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -75.8 127.83 33.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.18 0.514 . . . . 70.23 111.884 -173.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.592 -0.731 . . . . 75.12 109.107 172.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.642 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 51.9 mm-40 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.828 0.823 . . . . 52.14 110.184 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -97.57 142.65 29.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.836 -1.074 . . . . 74.53 109.187 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.15 176.41 45.19 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.211 -0.995 . . . . 62.44 112.501 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.6 m -99.57 134.83 41.88 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.147 -0.316 . . . . 62.31 110.147 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.16 114.86 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.52 -0.548 . . . . 65.32 109.52 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -70.37 -59.22 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 51.53 109.994 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.5 t90 -172.59 158.35 4.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 74.54 109.655 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.609 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 11.4 p90 -123.82 111.89 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.322 0.582 . . . . 73.22 110.949 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -79.21 87.72 4.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.935 0.874 . . . . 55.24 109.829 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.43 -14.32 49.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.014 -0.993 . . . . 41.33 111.68 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -57.34 -45.38 84.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.877 0.37 . . . . 75.24 110.058 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -93.98 -39.56 10.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.04 0.448 . . . . 71.51 109.825 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.39 29.3 4.54 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.639 -0.709 . . . . 45.52 111.49 -176.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -121.36 143.89 48.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.794 0.33 . . . . 74.12 110.423 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.609 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -113.23 146.57 18.47 Favored Glycine 0 N--CA 1.44 -1.074 0 C-N-CA 120.396 -0.907 . . . . 43.32 111.253 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.38 133.35 53.75 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.01 0.433 . . . . 73.52 109.906 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.23 144.86 28.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.379 -0.828 . . . . 60.34 109.134 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 29.0 tt0 -100.39 127.09 46.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.231 0.539 . . . . 64.44 111.264 -172.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.61 ' NH2' ' HB3' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -125.04 161.31 27.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.364 -0.835 . . . . 74.33 109.259 176.578 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.531 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 26.1 tt0 -62.42 -45.33 93.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.089 0.471 . . . . 71.52 109.826 174.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.07 -21.79 60.71 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.72 -0.673 . . . . 43.02 111.804 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.63 119.91 0.75 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.326 -0.94 . . . . 31.4 112.392 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.526 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 15.5 p-10 -98.88 55.47 1.03 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.558 0.695 . . . . 71.44 110.537 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -164.17 44.29 0.1 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.37 -0.832 . . . . 74.34 110.299 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.71 118.77 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.747 -0.661 . . . . 75.41 110.012 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -78.02 103.58 8.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.631 -0.713 . . . . 73.15 111.114 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 11.4 p -97.66 134.78 34.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.537 -0.542 . . . . 73.34 109.537 175.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -136.85 151.66 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.343 -0.39 . . . . 72.22 110.433 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -74.38 9.92 1.51 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.991 0.737 . . . . 71.33 112.991 -167.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 m -82.91 -7.84 59.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.116 0.484 . . . . 54.35 110.167 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -129.33 19.57 5.81 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.868 -0.606 . . . . 74.35 110.903 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 tp -80.57 151.59 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 63.54 109.998 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -84.22 -162.57 0.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.908 0.385 . . . . 62.11 111.098 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.76 -134.79 4.6 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.157 -0.545 . . . . 74.14 111.94 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 62.22 16.64 8.56 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.942 0.497 . . . . 64.13 111.656 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.22 -18.37 57.5 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.656 -0.783 . . . . 52.02 112.104 -178.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -81.38 78.9 8.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.333 0.587 . . . . 72.13 110.428 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 5.76 11.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.287 -0.869 . . . . 73.25 109.431 176.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.7 m -107.4 124.22 49.52 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.812 -1.085 . . . . 63.44 110.429 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.563 ' HA ' ' NE2' ' A' ' 45' ' ' GLN . 94.4 mt -107.32 127.18 53.33 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.936 -0.764 . . . . 73.14 108.936 173.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.484 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 38.3 t70 -124.4 144.16 50.2 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.084 0.468 . . . . 72.24 110.852 -174.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.34 124.21 20.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.326 -0.852 . . . . 71.31 111.183 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.35 -3.53 56.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.598 -0.81 . . . . 33.34 113.511 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.563 ' NE2' ' HA ' ' A' ' 41' ' ' LEU . 17.6 pt20 -90.79 155.75 18.56 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 117.773 0.787 . . . . 72.45 110.597 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.61 137.51 39.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.168 -0.469 . . . . 64.31 111.028 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.71 164.2 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 53.22 110.988 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.7 m -128.79 134.29 48.33 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.916 -0.772 . . . . 74.35 108.916 176.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.642 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 22.2 p90 -161.31 -175.63 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.496 -0.482 . . . . 74.11 111.42 -173.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -111.33 153.23 26.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.41 -0.814 . . . . 64.42 109.418 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.4 t -127.79 123.83 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.019 0.438 . . . . 72.33 111.025 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.89 113.56 25.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.695 -0.684 . . . . 52.04 109.503 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 42.6 mt-10 -80.13 126.02 30.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.08 -0.509 . . . . 74.35 110.314 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -88.79 -147.36 14.59 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.775 -0.726 . . . . 75.24 111.389 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -74.74 88.17 2.24 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.026 -0.731 . . . . 53.24 109.026 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 52.57 81.87 0.08 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.391 -0.822 . . . . 65.44 110.747 -171.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.68 101.06 0.16 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.804 -0.712 . . . . 44.33 112.171 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 3.9 Cg_exo -80.0 111.08 2.65 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.047 2.498 . . . . 75.24 111.832 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -112.04 150.69 30.29 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.52 -0.472 . . . . 72.33 110.34 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 28' ' ' VAL . . . -86.7 134.93 33.55 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.609 -0.723 . . . . 62.22 111.467 -177.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -135.2 145.6 47.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.289 -0.869 . . . . 73.51 108.941 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.93 83.91 0.12 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.525 -0.546 . . . . 71.34 109.525 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.551 ' HA ' ' HB3' ' A' ' 49' ' ' PHE . 47.7 t -100.13 124.8 53.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 120.468 -0.493 . . . . 62.51 111.076 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -122.08 150.01 42.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.749 -0.659 . . . . 74.42 109.601 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -84.82 136.52 33.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.762 0.315 . . . . 45.43 110.703 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.279 -0.867 . . . . 72.44 109.791 174.626 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.833 ' HG2' ' HB ' ' A' ' 51' ' ' VAL . 1.5 mp0 . . . . . 0 N--CA 1.45 -0.471 0 CA-C-O 120.859 0.362 . . . . 75.43 111.183 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -111.55 129.14 56.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.902 -0.407 . . . . 75.24 109.902 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 20' ' ' ARG . . . -152.74 176.94 30.71 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.578 -0.82 . . . . 71.14 112.247 -178.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.5 m -95.71 131.1 42.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.801 0.334 . . . . 75.14 110.474 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.2 t -68.88 110.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.084 -0.507 . . . . 75.3 110.489 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.62 -55.53 22.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.895 -0.593 . . . . 75.41 109.509 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.642 ' HD1' ' HB3' ' A' ' 43' ' ' GLU . 0.6 OUTLIER 176.99 168.0 0.54 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.263 -0.88 . . . . 72.12 109.087 173.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.657 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 4.7 p90 -123.41 96.42 4.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.504 0.669 . . . . 72.14 109.631 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.743 HD22 ' HB2' ' A' ' 13' ' ' LYS . 3.2 p-10 -68.57 84.06 0.28 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.521 0.677 . . . . 72.5 111.396 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.99 -22.56 65.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.375 -0.829 . . . . 70.53 111.665 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -58.05 -39.58 78.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.413 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.743 ' HB2' HD22 ' A' ' 10' ' ' ASN . 29.6 mtpp -101.42 -10.64 20.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.223 0.535 . . . . 73.11 110.041 176.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.25 43.54 20.43 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.539 -0.755 . . . . 71.13 112.58 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.644 ' HB2' HD21 ' A' ' 10' ' ' ASN . 55.9 m-85 -140.27 -178.73 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.217 -0.29 . . . . 73.05 110.217 -178.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.657 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -146.98 162.15 28.53 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.62 -0.8 . . . . 73.5 112.194 175.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -136.58 137.86 40.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.766 0.317 . . . . 74.45 110.745 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.8 mt -127.17 147.73 32.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.863 -0.608 . . . . 72.14 109.655 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -119.77 132.3 55.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 64.14 110.59 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.576 HH11 ' HG3' ' A' ' 2' ' ' GLU . 71.0 mtp180 -119.77 160.44 22.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.233 0.539 . . . . 73.33 111.113 177.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.18 -45.43 84.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.059 -0.973 . . . . 73.31 109.781 171.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -96.16 19.01 12.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.608 -0.724 . . . . 51.35 111.039 -176.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . 179.33 106.78 0.21 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 119.775 -1.203 . . . . 53.31 112.97 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -91.13 155.5 18.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.085 -0.339 . . . . 73.52 110.085 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 t70 63.45 72.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 124.034 0.834 . . . . 73.31 111.508 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -107.29 118.53 55.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.721 -0.672 . . . . 63.42 109.622 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' A' ' 59' ' ' GLN . 28.6 t80 -84.23 140.86 31.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.201 -0.454 . . . . 65.21 110.286 -175.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.0 t -120.26 132.54 69.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.055 0.455 . . . . 71.04 111.422 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -111.16 145.72 38.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 74.11 109.904 173.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.538 ' O ' HG22 ' A' ' 33' ' ' ILE . 82.4 m-85 -71.53 -10.11 59.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.381 0.61 . . . . 74.32 110.072 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -75.73 -4.65 41.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.487 -0.779 . . . . 55.13 110.919 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -121.67 -3.05 9.29 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.78 0.324 . . . . 41.35 111.871 -178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 30' ' ' PHE . 11.0 tp -86.62 148.92 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.674 -0.491 . . . . 60.44 109.674 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -95.07 156.69 16.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.427 -0.351 . . . . 72.23 110.268 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.495 ' HA2' ' HB3' ' A' ' 39' ' ' LYS . . . -108.56 -141.3 9.5 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.72 -0.752 . . . . 72.45 111.267 176.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 4.6 m-20 73.46 -47.41 0.66 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.544 0.738 . . . . 74.41 111.706 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.37 -82.99 0.18 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.035 -0.602 . . . . 53.12 112.1 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -93.52 92.04 7.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.69 0.281 . . . . 74.14 110.892 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.495 ' HB3' ' HA2' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -103.44 -7.67 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.038 -0.528 . . . . 74.41 110.551 177.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -115.11 136.37 53.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.805 -0.634 . . . . 74.42 109.709 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 HG11 ' A' ' 47' ' ' VAL . 92.6 mt -106.88 129.48 54.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.45 -0.341 . . . . 55.31 110.505 -177.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.585 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 16.0 m-20 -85.36 137.44 32.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.269 0.557 . . . . 71.45 110.986 -177.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.642 ' HB3' ' HD1' ' A' ' 8' ' ' TRP . 6.5 pt-20 -60.67 126.99 29.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.367 -0.833 . . . . 70.42 111.442 -179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.51 -10.48 66.94 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.833 -0.698 . . . . 54.5 113.333 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.585 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 14.3 pt20 -86.75 157.37 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.508 0.654 . . . . 71.23 110.266 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -96.21 141.87 29.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.494 -0.321 . . . . 73.15 110.504 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.46 HG11 HD22 ' A' ' 41' ' ' LEU . 23.6 m -134.55 155.96 39.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.311 -0.404 . . . . 52.13 110.247 176.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 m -107.78 134.72 50.34 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.549 -0.538 . . . . 71.04 109.549 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.505 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 42.9 p90 -150.47 177.78 9.68 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.871 0.367 . . . . 75.22 111.058 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -106.02 140.51 38.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.54 -0.754 . . . . 75.42 110.005 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.833 ' HB ' ' HG2' ' A' ' 2' ' ' GLU . 10.6 p -81.69 133.1 29.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.176 0.513 . . . . 63.45 111.549 -176.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -132.89 138.86 47.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.872 -0.604 . . . . 70.14 109.484 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -85.35 125.29 32.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.847 0.356 . . . . 74.21 110.112 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.82 -148.41 19.15 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.789 -0.641 . . . . 61.43 112.765 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -64.74 -67.75 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.935 0.398 . . . . 73.03 111.753 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -121.72 13.62 10.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.311 -0.404 . . . . 74.5 111.025 -177.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.67 169.93 42.73 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.468 -0.873 . . . . 33.12 112.307 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.95 132.7 13.1 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.745 2.296 . . . . 75.43 112.134 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' A' ' 27' ' ' PHE . 13.9 pt20 -119.02 162.31 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.107 -0.497 . . . . 63.24 110.866 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.07 120.48 31.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.684 -0.689 . . . . 61.22 111.101 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -117.79 138.28 52.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.666 -0.494 . . . . 65.44 109.666 175.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 59.86 88.57 0.07 Allowed 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.875 -0.417 . . . . 65.44 109.875 -174.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.0 t -100.91 111.85 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 50.43 111.224 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -97.41 142.91 28.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.466 -0.788 . . . . 72.11 109.954 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -75.63 133.83 40.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.157 0.503 . . . . 61.51 111.236 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.776 -1.107 . . . . 52.14 108.811 174.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.478 ' HG3' ' NE ' ' A' ' 20' ' ' ARG . 3.4 mm-40 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.891 0.377 . . . . 73.04 111.025 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.37 116.77 32.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.003 -1.11 . . . . 61.25 108.003 170.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.41 177.38 23.86 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.318 -0.944 . . . . 51.22 112.492 -175.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 35.9 m -110.99 137.41 48.65 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.672 0.272 . . . . 53.33 110.395 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.41 106.57 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.488 -0.56 . . . . 62.15 109.488 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HG3' ' CE3' ' A' ' 8' ' ' TRP . 4.9 tppp? -64.38 -50.63 66.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.921 -0.581 . . . . 75.43 110.349 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.426 ' CE3' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -158.79 173.94 15.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 71.51 110.782 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.663 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 5.2 p90 -142.31 93.67 2.56 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.923 -0.769 . . . . 75.52 108.923 174.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.691 HD21 ' HB2' ' A' ' 15' ' ' PHE . 5.8 p-10 -71.81 83.85 0.92 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.498 0.666 . . . . 75.34 111.438 -172.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.84 -16.79 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.638 -0.71 . . . . 74.31 110.282 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -54.35 -40.63 68.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.891 -1.049 . . . . 65.24 109.842 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -123.21 -1.42 8.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.432 -0.349 . . . . 52.31 111.414 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.54 57.33 3.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.068 -0.587 . . . . 44.5 113.197 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.691 ' HB2' HD21 ' A' ' 10' ' ' ASN . 92.2 m-85 -147.7 -178.74 6.42 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.526 -0.546 . . . . 74.11 109.526 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.663 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -138.04 167.12 25.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.45 -0.881 . . . . 62.14 112.384 174.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.494 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 59.7 m-85 -134.96 135.24 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.66 0.23 . . . . 75.0 110.521 177.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.512 HG13 ' CG2' ' A' ' 28' ' ' VAL . 72.0 mt -120.2 146.99 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.792 -0.448 . . . . 61.41 109.792 174.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 11.5 pt-20 -101.8 139.15 37.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.026 0.441 . . . . 65.13 111.006 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.478 ' NE ' ' HG3' ' A' ' 2' ' ' GLU . 60.7 mtp180 -126.36 160.3 30.81 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.437 -0.579 . . . . 65.23 109.437 174.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.33 -20.65 64.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.941 0.4 . . . . 74.24 110.776 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -103.79 19.59 19.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 64.24 110.157 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.86 120.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.991 -0.623 . . . . 51.33 111.81 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.587 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 10.9 p-10 -99.41 56.63 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.603 0.716 . . . . 71.43 111.245 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -149.93 80.52 1.38 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.534 -0.757 . . . . 72.53 109.911 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 60.6 t -118.95 123.27 71.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.642 -0.708 . . . . 74.31 110.226 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -76.09 116.3 16.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.09 0.471 . . . . 71.41 111.42 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.513 ' HB ' ' HA3' ' A' ' 16' ' ' GLY . 47.9 t -86.11 128.17 39.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.019 -0.537 . . . . 73.02 110.069 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -102.77 140.0 37.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.638 -0.71 . . . . 62.15 109.755 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -74.1 -16.57 61.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.59 -0.277 . . . . 74.52 111.644 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.2 t -76.2 -9.21 58.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.414 0.626 . . . . 63.42 109.79 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HB1' ' H ' ' A' ' 62' ' ' ASN . . . -113.29 20.18 16.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.67 -0.696 . . . . 73.42 110.279 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 tp -59.21 152.75 4.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.576 -0.738 . . . . 72.33 111.062 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 6.0 pt20 -59.14 167.39 1.74 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.314 0.578 . . . . 74.51 111.684 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.45 174.37 8.0 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.458 -0.792 . . . . 31.41 112.614 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.0 147.88 6.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.453 0.645 . . . . 64.21 112.26 -175.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.86 -51.05 0.87 Allowed Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.233 -0.894 . . . . 74.05 111.13 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -147.68 113.89 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.324 -0.251 . . . . 71.44 110.324 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' H ' ' HD3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -96.11 10.6 37.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.497 0.665 . . . . 73.02 109.922 176.241 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m -121.46 148.96 43.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.232 -0.895 . . . . 72.3 109.586 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.9 mt -107.54 173.81 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.74 0.305 . . . . 71.02 110.739 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.494 ' N ' HE21 ' A' ' 45' ' ' GLN . 12.9 m-20 -146.77 136.57 23.19 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.11 -0.496 . . . . 62.53 110.15 -173.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.05 112.17 2.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.905 -0.588 . . . . 71.23 110.413 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.09 6.51 36.77 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.399 -0.905 . . . . 71.21 113.904 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.494 HE21 ' N ' ' A' ' 42' ' ' ASP . 27.8 pt20 -101.91 136.42 41.77 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.557 1.178 . . . . 73.13 110.754 174.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -87.67 150.1 23.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.696 -0.684 . . . . 62.22 112.304 -172.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -147.48 174.84 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.391 -0.822 . . . . 72.22 110.257 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.2 m -124.12 133.21 53.65 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.896 -1.15 . . . . 64.41 107.896 170.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE1' HG21 ' A' ' 18' ' ' ILE . 28.2 p90 -149.24 165.29 32.33 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.437 -0.505 . . . . 74.34 111.477 -169.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -99.51 138.77 36.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.851 -0.613 . . . . 73.42 109.386 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.16 115.56 48.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.371 0.605 . . . . 74.14 110.401 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -114.83 122.83 47.56 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.986 -0.552 . . . . 71.04 110.142 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.608 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 45.0 mt-10 -65.88 113.59 4.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 73.51 110.228 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -99.5 -148.31 22.82 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.737 -0.744 . . . . 65.21 113.345 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.449 ' H ' ' CD ' ' A' ' 55' ' ' GLN . 0.9 OUTLIER -47.4 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.798 0.839 . . . . 74.44 112.445 -175.325 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -114.24 -12.13 12.51 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.0 -0.28 . . . . 62.12 111.333 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.39 159.21 27.97 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.405 -0.903 . . . . 71.13 112.002 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.608 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 41.9 Cg_endo -69.32 132.65 24.49 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.411 2.074 . . . . 75.11 111.253 176.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -113.37 145.3 41.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.057 0.456 . . . . 74.1 110.768 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.13 115.58 24.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.459 -0.792 . . . . 75.32 110.411 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.07 138.71 52.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.839 -0.619 . . . . 73.4 109.4 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.402 ' H ' ' HB1' ' A' ' 32' ' ' ALA . 55.7 m-20 56.87 88.6 0.05 Allowed 'General case' 0 CA--C 1.513 -0.477 0 O-C-N 123.484 0.49 . . . . 73.51 109.915 -171.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 34' ' ' GLN . 58.8 t -104.34 106.83 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 C-N-CA 120.364 -0.534 . . . . 71.42 110.076 177.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -93.91 140.14 30.05 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.499 -0.556 . . . . 72.32 109.499 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -78.66 131.22 36.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.989 0.423 . . . . 74.13 111.414 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.795 -0.622 . . . . 74.54 109.673 176.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.494 ' OE1' HG12 ' A' ' 51' ' ' VAL . 4.0 mp0 . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 109.437 -0.579 . . . . 73.01 109.437 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 29.9 tt0 -100.37 124.74 46.24 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.547 -0.461 . . . . 72.33 109.813 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.57 168.61 23.8 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 121.009 -0.615 . . . . 44.41 111.758 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.2 m -95.89 129.09 43.24 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.86 0.362 . . . . 44.43 110.737 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.405 ' HA ' HG12 ' A' ' 18' ' ' ILE . 58.9 t -64.05 111.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.003 -0.544 . . . . 72.55 109.738 176.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HE2' ' HB3' ' A' ' 19' ' ' GLU . 11.3 tppt? -67.18 -56.84 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.34 -0.615 . . . . 65.53 109.34 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.575 ' HA ' ' HB3' ' A' ' 43' ' ' GLU . 30.3 t90 -178.28 141.06 0.23 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.888 -1.051 . . . . 61.22 109.224 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.468 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 7.1 p90 -83.29 94.24 7.88 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.425 -0.583 . . . . 72.54 109.425 176.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.56 87.24 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.543 0.687 . . . . 72.11 111.774 -175.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.64 -18.97 65.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.293 -0.867 . . . . 74.21 110.206 176.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.72 -41.17 70.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.245 -0.889 . . . . 72.24 109.738 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -94.57 -30.69 14.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.369 -0.832 . . . . 72.21 109.708 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.62 25.56 8.08 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.79 -0.641 . . . . 63.51 112.48 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -143.59 -168.81 2.93 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.113 -0.329 . . . . 62.41 110.113 -174.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -112.9 155.37 16.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.748 -0.739 . . . . 62.21 111.707 177.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.776 ' CZ ' ' HA ' ' A' ' 25' ' ' ASP . 39.8 t80 -131.16 133.17 45.3 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.468 -0.567 . . . . 72.51 109.468 178.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.426 ' HA ' ' H ' ' A' ' 7' ' ' LYS . 54.3 mt -135.85 148.44 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.598 -0.273 . . . . 74.03 110.459 -175.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 10.0 pt-20 -101.53 128.26 47.85 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.402 0.62 . . . . 74.12 110.743 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HD3' ' HB3' ' A' ' 2' ' ' GLU . 3.9 tpm_? -118.44 159.35 23.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.588 -0.733 . . . . 72.01 109.027 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.73 -33.23 74.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.116 0.484 . . . . 45.32 111.006 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -15.56 59.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.927 -0.579 . . . . 65.45 110.263 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.77 128.29 0.96 Allowed Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.176 -0.77 . . . . 61.33 111.176 -176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.587 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 6.8 p-10 -96.6 56.87 1.56 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.612 0.72 . . . . 62.33 110.936 -177.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.776 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 4.8 p-10 -150.21 39.33 0.75 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.039 -0.982 . . . . 75.55 110.114 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -86.84 119.41 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.594 -0.73 . . . . 72.15 110.56 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -88.56 122.86 32.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 75.11 110.815 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.3 t -92.05 127.74 44.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.538 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -90.19 147.46 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.251 -0.431 . . . . 62.41 110.243 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.44 ' O ' HG22 ' A' ' 33' ' ' ILE . 55.9 t80 -71.23 -19.45 62.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.23 0.538 . . . . 74.35 110.252 -175.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -80.32 -16.52 54.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.1 -0.5 . . . . 73.3 110.578 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.418 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -100.21 -16.96 17.58 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.012 0.375 . . . . 73.15 112.012 -174.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 30' ' ' PHE . 10.1 tp -73.51 145.27 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 110.01 -0.366 . . . . 64.0 110.01 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.603 ' OE1' ' HA ' ' A' ' 64' ' ' GLN . 8.8 pt20 -94.25 152.73 18.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.72 0.295 . . . . 72.44 110.538 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.64 89.02 0.84 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.408 -0.901 . . . . 61.34 111.243 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -83.22 -16.74 45.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.723 0.773 . . . . 73.1 110.109 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.02 -39.12 1.21 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 109.677 -1.369 . . . . 73.12 109.677 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -123.09 151.89 41.6 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.17 -1.048 . . . . 74.33 108.17 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -86.85 26.27 1.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.244 0.545 . . . . 73.11 111.663 -175.721 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.7 m -152.56 158.43 42.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.531 -0.544 . . . . 61.01 109.531 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.49 HD13 HG11 ' A' ' 47' ' ' VAL . 97.4 mt -107.71 173.74 6.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.716 0.293 . . . . 65.41 110.719 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.77 123.11 35.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 70.51 109.989 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.575 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -67.95 118.28 10.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.263 0.554 . . . . 63.23 110.246 178.114 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.12 -7.55 23.24 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.771 -0.65 . . . . 62.3 112.737 -176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -96.39 159.09 15.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.16 0.48 . . . . 75.14 110.294 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -97.55 136.04 38.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.591 0.234 . . . . 73.32 110.612 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.49 HG11 HD13 ' A' ' 41' ' ' LEU . 31.2 m -136.52 164.88 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.419 -0.355 . . . . 70.03 110.323 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.507 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 6.8 m -108.02 145.57 33.76 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.342 -0.614 . . . . 74.42 109.342 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.635 ' HE2' ' HB ' ' A' ' 51' ' ' VAL . 44.8 p90 -160.73 171.17 19.33 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.615 0.245 . . . . 73.24 110.771 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -108.26 109.53 20.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.199 -0.455 . . . . 71.41 109.845 170.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.635 ' HB ' ' HE2' ' A' ' 49' ' ' PHE . 7.3 p -84.57 113.13 22.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.543 0.687 . . . . 54.01 111.085 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -111.64 131.4 55.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 74.01 110.255 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 37.0 mt-10 -80.39 112.0 17.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.736 -0.468 . . . . 73.13 109.736 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.22 -148.48 21.73 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.608 -0.724 . . . . 62.44 113.478 -171.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -58.13 -37.16 74.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.431 -0.385 . . . . 73.22 111.63 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -122.51 -63.05 1.31 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.36 -0.382 . . . . 72.42 111.208 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.0 175.41 17.24 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.265 -0.969 . . . . 63.33 113.088 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.542 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 17.8 Cg_exo -66.99 128.58 18.96 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.462 2.775 . . . . 75.51 112.306 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -126.17 144.34 50.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.814 -0.63 . . . . 71.41 110.619 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.74 118.14 24.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.846 -0.616 . . . . 41.23 111.135 -176.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.418 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -120.79 147.97 44.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.795 -0.638 . . . . 64.44 109.478 175.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 10.9 m-80 59.52 89.26 0.06 Allowed 'General case' 0 C--O 1.238 0.478 0 O-C-N 123.41 0.444 . . . . 74.13 110.16 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.0 t -103.14 136.29 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 64.11 110.993 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.603 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 25.2 tt0 -127.02 130.31 49.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.72 -0.673 . . . . 74.14 109.85 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -70.9 138.16 49.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.308 . . . . 64.43 110.407 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.546 -0.74 . . . . 61.33 110.227 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.739 ' HG3' HG23 ' A' ' 51' ' ' VAL . 2.4 mm-40 . . . . . 0 C--O 1.234 0.283 0 CA-C-O 120.9 0.381 . . . . 74.12 110.394 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -146.39 148.46 32.36 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.928 -0.768 . . . . 71.51 108.928 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.98 169.68 38.98 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.27 -0.967 . . . . 72.51 112.703 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 4.7 m -102.03 130.33 48.56 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.294 -0.261 . . . . 61.33 110.294 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.2 111.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.552 -0.536 . . . . 61.34 109.552 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -85.05 -41.67 15.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.296 -0.411 . . . . 54.23 111.116 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -149.99 149.21 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.977 -0.289 . . . . 65.02 110.349 -173.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -131.96 93.89 3.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.916 0.388 . . . . 74.33 110.564 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.965 HD21 ' HB2' ' A' ' 15' ' ' PHE . 1.7 p-10 -81.39 82.39 7.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.949 0.881 . . . . 71.1 110.468 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.14 -27.26 67.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 71.34 112.184 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -4.37 48.84 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.843 -0.343 . . . . 73.52 111.636 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -124.36 -5.78 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 44.25 110.651 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.82 49.59 13.36 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.992 -0.549 . . . . 44.32 113.905 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.965 ' HB2' HD21 ' A' ' 10' ' ' ASN . 66.1 m-85 -144.84 148.19 33.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.182 -0.303 . . . . 72.21 110.182 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -112.48 139.67 15.79 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.326 -0.94 . . . . 43.43 111.114 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 25' ' ' ASP . 71.3 t80 -112.13 133.14 54.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.005 0.431 . . . . 75.52 110.108 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.458 HG21 ' CE1' ' A' ' 49' ' ' PHE . 57.7 mt -126.44 144.36 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.922 -0.581 . . . . 72.44 110.788 -175.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.596 ' HG3' ' CB ' ' A' ' 24' ' ' ASP . 34.1 tt0 -111.47 130.52 55.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.702 -0.681 . . . . 75.41 110.336 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -118.61 166.78 12.31 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.088 -0.338 . . . . 70.12 110.088 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.67 -36.89 84.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.349 0.595 . . . . 63.01 110.588 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -102.71 20.48 17.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.782 -0.644 . . . . 62.14 110.741 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.35 104.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.356 -0.926 . . . . 72.24 112.618 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.596 ' CB ' ' HG3' ' A' ' 19' ' ' GLU . 11.6 p-10 -91.67 57.77 3.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.427 0.632 . . . . 62.2 110.804 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 37.9 t70 -161.93 78.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 71.02 109.717 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 46.7 t -130.19 139.62 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 71.41 109.908 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 59' ' ' GLN . 98.1 m-85 -114.92 123.28 48.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.888 0.375 . . . . 74.05 110.954 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.637 HG11 HD12 ' A' ' 41' ' ' LEU . 11.6 p -97.09 137.37 24.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.918 0.39 . . . . 70.33 110.606 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.407 ' HD2' ' HB2' ' A' ' 59' ' ' GLN . 78.7 m-70 -107.77 148.52 29.38 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.276 -0.875 . . . . 73.14 109.687 177.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 98.3 m-85 -70.75 -11.33 60.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.945 0.402 . . . . 74.04 110.891 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 m -67.93 -14.07 62.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.041 -0.527 . . . . 64.45 111.384 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB1' ' H ' ' A' ' 62' ' ' ASN . . . -136.37 23.2 3.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 61.12 111.17 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.665 HD11 ' HG ' ' A' ' 41' ' ' LEU . 10.2 tp -81.02 151.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.6 . . . . 74.14 111.769 -173.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.413 ' HG3' ' H ' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -77.55 -176.46 4.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.754 -0.657 . . . . 73.34 110.972 176.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . -147.51 -142.48 3.69 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.733 -0.746 . . . . 72.21 112.517 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 69.03 89.4 0.1 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.594 0.712 . . . . 72.43 111.15 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.9 -77.66 2.04 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.326 -0.852 . . . . 75.32 111.586 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -106.22 101.74 11.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.197 0.522 . . . . 74.12 110.408 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -85.35 -3.39 58.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.542 -0.754 . . . . 73.43 110.08 179.608 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 p -103.23 163.64 12.12 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.565 -0.743 . . . . 55.43 109.662 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.665 ' HG ' HD11 ' A' ' 33' ' ' ILE . 55.8 mt -107.02 128.99 54.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.878 0.37 . . . . 72.31 110.355 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.431 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 37.3 t70 -99.45 126.84 45.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.754 -0.657 . . . . 71.53 109.762 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -57.84 123.14 14.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.883 -0.599 . . . . 63.03 110.955 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.88 -15.1 11.26 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.912 -0.661 . . . . 60.43 113.034 -176.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.431 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 23.9 pt20 -100.71 149.93 23.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 117.659 0.729 . . . . 62.12 110.699 177.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -94.33 144.95 25.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.296 -0.411 . . . . 70.05 110.787 177.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.7 m -140.55 159.57 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 71.31 110.934 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 m -99.77 144.94 28.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.945 -0.761 . . . . 71.34 108.945 176.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.467 ' HA ' ' O ' ' A' ' 62' ' ' ASN . 48.0 p90 -169.99 153.58 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.754 0.312 . . . . 72.31 110.282 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -97.16 141.96 29.66 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.266 -0.574 . . . . 74.44 109.677 174.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.739 HG23 ' HG3' ' A' ' 2' ' ' GLU . 77.3 t -87.52 114.14 25.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.114 0.483 . . . . 64.35 111.001 -177.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -96.02 115.53 27.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.484 -0.78 . . . . 72.32 109.676 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.52 108.99 4.03 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.338 -0.616 . . . . 72.51 109.338 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.75 -148.12 18.45 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.953 -0.642 . . . . 72.33 112.169 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -78.57 -25.85 45.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.83 0.348 . . . . 74.44 111.097 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -144.17 -64.79 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 74.11 111.409 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.86 155.88 22.2 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.493 -0.861 . . . . 55.33 112.552 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.32 116.69 4.4 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 123.003 2.469 . . . . 75.03 110.932 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 27' ' ' PHE . 14.0 pt20 -106.88 151.29 25.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.939 0.4 . . . . 73.31 111.086 -176.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB3' HG23 ' A' ' 28' ' ' VAL . . . -80.99 118.7 22.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.927 -0.579 . . . . 71.12 111.127 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.66 139.62 51.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.495 -0.775 . . . . 74.12 109.192 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 27.7 m-80 56.66 85.52 0.08 Allowed 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.015 0.436 . . . . 75.12 109.997 -173.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -98.95 126.65 52.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.65 -0.704 . . . . 74.12 110.283 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -121.0 142.92 49.34 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.249 -0.648 . . . . 74.11 109.249 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -66.71 132.65 48.57 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.236 -0.283 . . . . 64.43 110.236 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.803 -0.617 . . . . 25.42 110.272 -179.531 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 121.503 0.668 . . . . 72.33 109.467 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.574 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 35.1 tt0 -98.77 153.76 18.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.089 -0.96 . . . . 72.11 110.171 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.98 -178.98 29.8 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.888 -0.672 . . . . 64.13 111.87 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.8 m -106.5 130.37 54.3 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.556 0.217 . . . . 62.12 110.502 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.82 116.83 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.582 -0.281 . . . . 73.1 110.54 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -79.99 -62.35 1.71 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.686 -0.487 . . . . 73.04 109.686 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.503 ' HD1' ' H ' ' A' ' 9' ' ' PHE . 4.2 t90 176.42 151.19 0.15 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.349 -0.611 . . . . 72.2 109.349 -177.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.824 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 9.3 m-85 -88.72 87.64 7.32 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.609 -0.886 . . . . 72.44 108.609 168.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.87 98.59 0.07 Allowed 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 122.052 0.93 . . . . 54.42 110.953 -160.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.22 -10.65 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 113.458 -1.701 . . . . 64.21 114.329 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -54.52 -37.6 65.57 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.975 -0.75 . . . . 73.13 108.975 167.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -116.11 -30.43 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.316 -0.857 . . . . 70.41 109.968 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.9 60.37 1.78 Allowed Glycine 0 C--N 1.332 0.338 0 N-CA-C 111.032 -0.827 . . . . 72.3 111.032 -173.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 33.5 m-85 -164.49 146.71 8.64 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 121.134 -0.226 . . . . 73.55 110.645 -164.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.824 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -89.98 141.49 16.04 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 119.398 -1.382 . . . . 64.51 114.27 -162.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 34.3 m-85 -122.01 134.54 54.8 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 114.897 -0.652 . . . . 75.23 109.653 170.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.552 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 52.4 mt -116.14 142.68 28.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-N 115.336 -0.847 . . . . 72.41 110.176 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.732 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 40.7 tt0 -101.7 124.86 48.05 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.434 -0.803 . . . . 63.52 110.643 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.669 ' HD3' ' CZ ' ' A' ' 49' ' ' PHE . 15.0 mtm180 -134.39 -171.86 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.808 -0.633 . . . . 73.11 109.697 176.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.61 -24.53 63.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.934 0.397 . . . . 65.54 110.769 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -85.3 -6.38 59.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 72.12 110.812 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.84 177.81 16.71 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.739 . . . . 62.11 112.208 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.732 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 8.5 p-10 -98.98 58.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.641 0.734 . . . . 71.34 110.369 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.4 28.15 4.69 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.659 -0.7 . . . . 61.45 111.303 -177.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.552 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 60.7 t -85.55 112.08 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.442 -0.503 . . . . 64.0 110.203 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -76.76 107.32 8.99 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.037 -0.529 . . . . 53.43 111.612 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.441 HG21 HG13 ' A' ' 18' ' ' ILE . 38.8 t -94.41 125.49 47.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.201 -0.454 . . . . 73.2 111.027 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -99.39 164.59 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.667 -0.697 . . . . 75.25 110.181 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.55 ' HA ' HD13 ' A' ' 33' ' ' ILE . 22.0 p90 -66.38 -18.81 65.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.089 -0.505 . . . . 74.21 112.079 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.5 p -77.09 -11.29 59.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.036 0.446 . . . . 40.43 111.156 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.602 ' O ' HG12 ' A' ' 63' ' ' VAL . . . -82.79 -37.68 24.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.239 -0.437 . . . . 74.13 111.331 -178.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.55 HD13 ' HA ' ' A' ' 30' ' ' PHE . 2.1 mp -49.98 128.39 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 123.895 0.747 . . . . 53.34 112.213 -172.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.601 ' NE2' HG13 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -83.09 159.38 22.12 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.894 -0.594 . . . . 75.4 110.143 -179.237 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.96 87.62 1.37 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.448 -0.882 . . . . 43.45 112.699 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -113.52 -77.24 0.58 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.854 -0.795 . . . . 73.52 108.854 171.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.83 23.55 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 114.631 -1.168 . . . . 73.41 110.314 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' A' ' 40' ' ' SER . 55.6 m-85 -128.52 105.46 8.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.538 -0.331 . . . . 70.23 110.237 -174.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.523 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -82.21 -17.84 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.634 0.731 . . . . 74.14 109.089 174.711 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 38' ' ' PHE . 18.4 m -119.0 154.24 33.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.942 -1.026 . . . . 75.3 108.428 172.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.54 ' HB2' ' HE1' ' A' ' 9' ' ' PHE . 81.0 mt -106.62 147.41 29.53 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.647 -0.421 . . . . 73.12 110.726 -176.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.502 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 31.6 t70 -83.79 122.66 28.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.681 . . . . 65.34 110.58 -177.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG3' ' H ' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -63.69 129.71 41.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.532 0.682 . . . . 74.33 111.163 -178.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.28 -7.86 44.03 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.563 -0.827 . . . . 73.31 112.723 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 25.4 pt20 -89.8 150.98 22.02 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 117.405 0.603 . . . . 50.11 110.562 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.25 135.85 35.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.004 -0.544 . . . . 71.15 110.301 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.405 ' HB ' ' CG2' ' A' ' 63' ' ' VAL . 20.6 m -139.97 148.06 23.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.322 -0.399 . . . . 65.02 110.456 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.588 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 4.8 m -98.17 152.87 18.91 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.599 -0.889 . . . . 51.31 108.599 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CZ ' ' HD3' ' A' ' 20' ' ' ARG . 51.5 p90 -159.75 163.8 34.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 118.683 0.674 . . . . 75.4 111.466 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -93.58 108.81 20.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.775 -0.648 . . . . 63.5 109.65 173.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.573 ' HB ' ' HE1' ' A' ' 49' ' ' PHE . 7.4 p -88.65 128.55 40.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.927 -0.579 . . . . 74.44 110.932 -177.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -132.16 136.23 46.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.53 . . . . 73.5 110.146 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -108.49 109.89 21.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 74.44 110.387 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.13 -147.63 9.33 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.637 -0.985 . . . . 64.35 110.637 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -89.41 13.29 14.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.745 0.783 . . . . 73.42 109.78 176.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -117.66 -162.26 0.86 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.716 -1.129 . . . . 62.33 108.691 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.481 ' O ' ' HG3' ' A' ' 59' ' ' GLN . . . -67.77 167.44 41.66 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.693 -0.765 . . . . 74.03 112.5 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.1 121.32 8.75 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.001 2.468 . . . . 75.11 111.594 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 63.0 mt-30 -112.91 142.84 45.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.077 0.465 . . . . 73.55 111.301 -172.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.28 120.34 39.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.434 -0.803 . . . . 63.41 110.541 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.06 136.91 55.01 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.566 -0.531 . . . . 55.45 109.566 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.442 ' H ' ' HA ' ' A' ' 32' ' ' ALA . 19.1 m-80 62.48 98.78 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.588 0.555 . . . . 74.12 110.618 -176.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 32' ' ' ALA . 7.4 p -105.65 116.9 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.905 0.859 . . . . 43.22 111.191 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.588 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 21.5 tt0 -86.94 147.74 25.63 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.598 -1.183 . . . . 72.43 110.068 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -83.15 148.61 27.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.478 -0.328 . . . . 73.52 110.231 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.409 -0.805 . . . . 72.32 110.306 -179.144 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.471 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 28.4 mm-40 . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 121.088 0.471 . . . . 72.34 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.507 ' NE2' ' HB1' ' A' ' 46' ' ' ALA . 17.8 tm0? -99.0 134.47 41.78 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.663 -0.699 . . . . 75.31 109.23 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.55 156.12 26.81 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.3 -0.952 . . . . 45.44 112.413 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m -111.64 121.72 45.89 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.113 -0.329 . . . . 70.33 110.113 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.08 114.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.126 -0.324 . . . . 64.02 110.126 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.604 ' HE3' ' HB2' ' A' ' 19' ' ' GLU . 40.2 ttmt -88.32 -52.71 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.4 -0.364 . . . . 74.34 111.017 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -163.4 174.4 11.99 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.882 -0.414 . . . . 75.51 109.882 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -129.5 94.39 3.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.627 0.727 . . . . 74.42 109.919 176.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.47 93.1 0.47 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.443 0.64 . . . . 75.41 111.074 -177.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.31 -25.33 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.236 -0.893 . . . . 75.44 111.684 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.35 -42.72 74.22 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.341 0.591 . . . . 70.4 110.289 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -97.09 -19.86 18.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.653 -0.703 . . . . 65.31 110.262 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.72 42.66 12.94 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.612 -0.722 . . . . 71.24 113.129 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -148.1 170.9 16.79 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.935 -0.395 . . . . 72.13 109.935 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 27' ' ' PHE . . . -98.52 140.74 15.19 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.641 -0.79 . . . . 61.1 111.314 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.496 ' CE1' ' HA ' ' A' ' 25' ' ' ASP . 69.5 t80 -112.63 132.46 55.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.211 0.529 . . . . 73.23 110.767 -177.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.511 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 78.6 mt -127.29 139.93 50.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-N 115.431 -0.804 . . . . 53.23 110.676 -175.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.864 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 40.3 tt0 -104.36 146.58 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.695 -0.684 . . . . 75.12 110.601 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.441 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 27.4 mtp180 -135.71 179.75 6.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 73.12 110.796 175.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' OE1' ' HB3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.92 -30.51 58.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.612 -0.722 . . . . 74.13 110.712 179.159 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.32 5.75 22.19 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.425 -0.352 . . . . 63.52 111.125 178.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.22 168.38 12.42 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.962 -0.637 . . . . 52.25 111.81 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.864 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 12.7 p-10 -124.17 108.78 12.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.369 0.604 . . . . 71.22 111.071 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.496 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 30.2 t70 -170.07 26.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.299 -0.864 . . . . 72.35 108.776 176.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.511 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 41.9 t -89.13 115.94 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 115.608 -0.724 . . . . 62.24 110.102 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 57.1 m-85 -100.05 123.15 43.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.073 0.463 . . . . 70.45 111.096 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.5 p -94.82 138.56 20.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.896 -0.593 . . . . 73.51 110.046 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -98.73 154.2 18.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 72.13 109.973 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -67.48 -38.24 84.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.901 0.381 . . . . 72.32 111.024 -175.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -77.2 -2.84 36.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 41.35 111.218 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.629 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -95.49 -5.29 43.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.146 0.498 . . . . 74.32 110.565 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.4 mt -88.22 149.62 4.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.573 -0.739 . . . . 73.51 109.571 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.6 pm0 -79.09 9.54 4.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.799 0.333 . . . . 45.31 111.745 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.67 173.39 16.05 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.877 -0.678 . . . . 61.34 112.393 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -115.38 -63.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.273 -0.64 . . . . 74.11 109.273 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.81 -33.36 75.3 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 110.977 -0.849 . . . . 71.14 110.977 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -91.33 87.97 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.906 -0.405 . . . . 63.4 109.906 173.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -112.69 11.01 19.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.553 0.692 . . . . 74.02 109.741 178.034 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 p -117.18 146.49 43.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.329 -0.851 . . . . 73.51 110.243 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.442 ' HB3' HE21 ' A' ' 45' ' ' GLN . 96.6 mt -117.16 152.19 35.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.284 -0.416 . . . . 71.53 110.19 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.528 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 28.7 t70 -84.86 129.53 34.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.216 -0.447 . . . . 62.55 110.935 -178.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.73 119.96 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 75.24 111.087 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.04 -7.21 37.69 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.782 -0.723 . . . . 44.34 113.08 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.598 ' OE1' ' HE2' ' A' ' 65' ' ' LYS . 24.1 pt20 -86.92 153.16 21.82 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 117.348 0.574 . . . . 74.02 110.665 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HB1' ' NE2' ' A' ' 3' ' ' GLN . . . -95.79 139.4 32.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.744 -0.662 . . . . 74.54 110.253 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.79 165.07 32.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.041 0.448 . . . . 73.0 110.819 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -124.74 135.12 52.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.978 -0.749 . . . . 72.43 108.978 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -146.09 170.05 17.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.861 0.362 . . . . 72.02 111.167 -175.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -103.19 109.92 21.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.82 -0.627 . . . . 73.42 109.44 174.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.471 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 8.9 p -73.76 134.7 29.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.357 0.598 . . . . 53.14 111.253 -173.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -122.41 150.88 41.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.438 -0.801 . . . . 73.34 109.109 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -79.92 129.06 34.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.926 0.393 . . . . 71.52 110.435 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.23 179.24 36.25 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.955 -0.858 . . . . 63.4 110.955 175.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -72.49 -37.23 68.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.958 0.379 . . . . 74.24 111.351 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.8 mtm-85 -132.57 10.81 4.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.55 -0.46 . . . . 72.31 111.73 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.01 160.45 26.79 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.99 -1.1 . . . . 31.12 112.582 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -71.15 127.74 13.88 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.083 2.522 . . . . 52.43 111.962 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -111.38 138.48 47.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.059 0.457 . . . . 74.24 110.851 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.27 114.6 23.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.771 -0.65 . . . . 32.55 110.175 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.629 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -120.28 154.96 34.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.803 -0.635 . . . . 64.32 109.621 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 51.66 76.4 0.17 Allowed 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.462 0.476 . . . . 74.24 110.625 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.34 138.26 20.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.832 -0.622 . . . . 73.45 110.7 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -135.2 145.64 47.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.102 -0.499 . . . . 53.54 109.671 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.598 ' HE2' ' OE1' ' A' ' 45' ' ' GLN . 26.5 tptp -66.45 126.22 28.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.051 -0.352 . . . . 75.01 110.051 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.495 -0.764 . . . . 52.34 110.853 -178.537 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.207 -0.664 . . . . 73.12 109.207 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -133.36 138.03 46.13 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.675 -0.491 . . . . 73.34 109.675 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.85 -169.23 16.43 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.778 -0.725 . . . . 73.41 112.132 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.6 m -125.7 138.37 53.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.814 0.34 . . . . 62.11 110.847 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.97 122.4 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.473 -0.566 . . . . 53.44 109.473 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -93.91 -46.01 7.37 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.945 -0.302 . . . . 73.43 111.447 -175.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.43 ' CZ3' ' HB3' ' A' ' 10' ' ' ASN . 9.0 t90 -167.5 167.07 13.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.779 -0.452 . . . . 72.35 109.779 -177.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.474 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 20.4 p90 -157.04 110.33 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.396 0.617 . . . . 74.11 111.217 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.781 HD21 ' HB2' ' A' ' 15' ' ' PHE . 3.7 p-10 -80.86 80.67 7.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.781 0.801 . . . . 71.4 110.37 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.34 -24.86 65.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.942 -1.026 . . . . 71.53 112.103 -175.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -34.92 74.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.47 -0.332 . . . . 65.44 111.153 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HB2' HD22 ' A' ' 10' ' ' ASN . 58.0 mttp -112.78 -2.93 14.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 75.3 111.277 -178.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.451 ' HA2' ' HE2' ' A' ' 30' ' ' PHE . . . 79.18 46.41 8.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.985 -0.626 . . . . 45.21 113.281 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.781 ' HB2' HD21 ' A' ' 10' ' ' ASN . 72.5 m-85 -145.83 177.96 8.53 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.819 -0.437 . . . . 75.44 109.819 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 9' ' ' PHE . . . -174.26 -175.96 42.27 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.846 -0.692 . . . . 51.14 111.995 174.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.54 134.63 45.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.858 0.361 . . . . 75.41 110.464 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.3 mt -131.29 146.66 33.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.128 -0.693 . . . . 64.13 109.128 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.611 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 9.6 pt-20 -100.83 127.81 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.367 0.603 . . . . 73.12 112.052 -174.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -98.95 156.73 16.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.802 -1.185 . . . . 74.04 107.802 167.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.86 -8.54 53.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.117 0.414 . . . . 63.12 112.117 -174.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -112.43 -1.25 15.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.908 0.385 . . . . 75.12 110.584 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.67 104.69 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.954 -0.641 . . . . 73.15 111.926 -176.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.611 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.6 p-10 -93.95 58.3 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.468 0.651 . . . . 72.32 111.569 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -161.44 44.8 0.17 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.523 0.678 . . . . 74.3 110.843 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.2 t -86.98 131.38 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 64.24 110.078 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -82.97 115.33 21.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.241 -0.436 . . . . 54.22 110.415 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.696 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 10.3 p -101.97 145.7 11.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.187 0.518 . . . . 75.12 110.726 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 0.5 OUTLIER -129.94 155.22 46.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.482 -0.781 . . . . 65.3 109.052 177.151 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.584 ' HA ' HG12 ' A' ' 33' ' ' ILE . 73.3 m-85 -67.32 -15.88 63.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.509 0.559 . . . . 72.34 112.509 -170.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.422 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.7 m -69.63 -18.78 63.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.809 0.338 . . . . 62.32 110.979 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -91.04 -11.19 39.53 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.142 0.496 . . . . 53.42 110.715 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.584 HG12 ' HA ' ' A' ' 30' ' ' PHE . 45.5 mm -74.04 138.55 20.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.598 -0.728 . . . . 44.44 109.666 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -69.03 149.02 49.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.235 -0.439 . . . . 73.34 110.593 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 36' ' ' ASP . . . -91.41 170.98 34.58 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.842 -0.903 . . . . 60.43 110.842 173.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 8.9 t70 72.49 115.01 0.05 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.395 0.617 . . . . 74.53 111.168 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.78 -111.76 3.32 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.914 -0.66 . . . . 45.24 112.595 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -82.02 88.67 6.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.867 0.365 . . . . 62.01 110.927 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 17.95 10.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.751 0.786 . . . . 62.44 110.414 177.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.0 m -148.53 139.4 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.184 -0.916 . . . . 44.33 109.065 173.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.2 mt -107.87 136.6 47.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.796 0.331 . . . . 61.24 111.341 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 15.6 m-20 -84.25 122.76 29.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.644 . . . . 63.15 110.068 175.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.99 136.69 58.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.205 0.526 . . . . 74.44 110.255 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.97 -24.3 19.31 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.736 -0.745 . . . . 74.24 112.505 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 28.5 pt20 -85.23 150.13 25.01 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 117.514 0.657 . . . . 65.03 110.645 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.17 140.14 30.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.693 -0.685 . . . . 65.43 110.533 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.49 HG12 ' HD2' ' A' ' 65' ' ' LYS . 18.3 m -142.66 149.01 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.814 -0.63 . . . . 73.04 110.798 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.0 m -74.97 134.63 41.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.598 -1.26 . . . . 62.51 107.598 169.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.767 ' CZ ' ' HB1' ' A' ' 60' ' ' ALA . 5.3 t80 -148.0 144.34 27.88 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.807 -0.757 . . . . 75.34 111.808 -164.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -105.34 167.27 9.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 53.14 110.387 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.9 p -142.6 136.52 27.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.276 0.56 . . . . 73.43 111.038 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.7 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 51.4 mm-40 -111.1 152.83 26.51 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.523 -0.762 . . . . 74.53 109.452 175.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.3 119.58 22.55 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.059 0.457 . . . . 74.35 110.326 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' A' ' 57' ' ' GLY . . . -96.07 170.73 27.79 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.793 -0.718 . . . . 75.12 112.9 -175.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -70.93 -39.77 72.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.239 0.542 . . . . 75.42 110.441 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -104.94 -52.28 2.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.702 -0.681 . . . . 53.21 110.094 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.461 ' O ' ' HA3' ' A' ' 54' ' ' GLY . . . -143.37 172.85 24.61 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.448 -0.796 . . . . 44.23 111.142 178.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -57.07 125.94 20.59 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.693 2.262 . . . . 74.21 112.171 -179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.7 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 9.7 pt20 -96.39 134.39 39.6 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.459 -0.571 . . . . 75.44 109.459 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.767 ' HB1' ' CZ ' ' A' ' 49' ' ' PHE . . . -76.52 145.72 38.93 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.896 -0.593 . . . . 70.02 111.666 -175.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.461 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -152.8 153.72 33.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.309 -0.405 . . . . 70.24 111.072 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 54.34 93.53 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.752 0.821 . . . . 72.43 112.755 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.647 HG22 ' HE1' ' A' ' 49' ' ' PHE . 62.1 t -83.29 129.72 37.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.803 -0.635 . . . . 75.34 110.068 170.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -136.38 125.45 24.44 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.917 -0.771 . . . . 63.1 108.917 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HD2' HG12 ' A' ' 47' ' ' VAL . 25.2 tptp -70.9 130.95 42.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.364 0.602 . . . . 74.11 111.912 -174.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.796 0 CA-C-N 115.035 -0.984 . . . . 63.32 109.345 172.702 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.46 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 76.0 mm-40 . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 121.155 0.502 . . . . 72.12 111.419 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -139.93 118.34 12.15 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.647 -0.872 . . . . 74.21 108.647 172.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.59 -169.75 19.63 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.118 -1.039 . . . . 64.23 112.788 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 m -104.78 133.32 49.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.682 0.277 . . . . 74.02 110.482 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.29 111.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.014 -0.365 . . . . 73.31 110.014 178.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -78.61 -64.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.067 -0.515 . . . . 74.03 110.583 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -176.24 142.82 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.642 -0.708 . . . . 71.53 109.393 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.667 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 31.9 p90 -138.64 123.25 18.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.076 0.465 . . . . 70.13 110.709 -178.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.542 HD22 ' HB2' ' A' ' 13' ' ' LYS . 1.2 p-10 -70.63 86.14 0.65 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.535 0.683 . . . . 51.43 110.6 176.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.74 -20.58 65.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.312 -0.858 . . . . 73.41 111.213 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.19 -33.15 67.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.007 -0.542 . . . . 75.2 110.204 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HB2' HD22 ' A' ' 10' ' ' ASN . 14.2 mmmm -103.48 -19.84 14.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 71.21 110.34 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.73 21.07 32.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.999 -0.619 . . . . 73.53 112.327 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -138.17 174.25 10.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.416 -0.587 . . . . 75.5 109.416 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.667 ' HA3' ' HA ' ' A' ' 9' ' ' PHE . . . 174.33 -166.62 38.66 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.38 -0.914 . . . . 74.2 112.542 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 95.9 m-85 -125.32 134.94 52.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.409 0.624 . . . . 74.0 111.372 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 61.9 mt -109.68 147.97 13.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.29 -0.868 . . . . 73.42 108.67 171.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -100.31 130.79 46.47 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.318 -0.623 . . . . 73.44 109.318 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.464 ' HB2' ' H ' ' A' ' 23' ' ' GLY . 72.5 mtp180 -84.14 170.38 13.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.838 0.351 . . . . 70.25 110.524 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.92 -46.64 62.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.174 -0.466 . . . . 72.34 109.918 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -93.64 -21.97 19.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.531 . . . . 72.41 111.27 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.464 ' H ' ' HB2' ' A' ' 20' ' ' ARG . . . -145.98 -149.42 4.99 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.409 -0.9 . . . . 74.13 113.129 -175.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -145.38 -177.64 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.993 -0.373 . . . . 65.01 109.993 -177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 63.75 85.39 0.13 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.753 0.821 . . . . 74.45 112.919 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.546 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 91.1 t -123.51 116.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.846 -0.615 . . . . 75.42 109.564 168.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -71.02 104.4 2.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.177 0.513 . . . . 71.1 110.655 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 p -95.0 144.83 9.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.835 -0.432 . . . . 71.33 109.835 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -138.35 138.83 38.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.466 -0.568 . . . . 75.31 109.466 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.514 ' HA ' HD13 ' A' ' 33' ' ' ILE . 42.0 p90 -51.57 -31.65 25.38 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.166 0.802 . . . . 72.44 113.166 -170.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 p -70.38 -13.3 62.08 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.357 0.503 . . . . 51.51 112.357 -175.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.84 -7.24 52.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.86 0.362 . . . . 53.41 111.342 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 30' ' ' PHE . 2.5 mp -90.27 134.66 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.097 0.475 . . . . 74.11 110.628 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -126.87 152.37 47.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.702 -0.681 . . . . 42.43 109.379 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.63 -164.5 35.42 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.197 -1.001 . . . . 53.15 112.155 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -86.18 -5.99 59.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.02 0.438 . . . . 53.32 110.539 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.3 55.96 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.779 -0.929 . . . . 65.11 110.779 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -131.17 117.76 19.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.89 0.376 . . . . 73.44 111.491 -173.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -117.55 1.48 12.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.722 0.772 . . . . 72.3 108.926 167.171 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.2 t -138.96 146.2 40.68 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.53 -1.214 . . . . 50.22 109.411 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -107.68 158.55 17.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.111 0.482 . . . . 71.33 110.767 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.453 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 11.2 m-20 -91.85 121.35 33.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.042 -0.526 . . . . 72.03 110.033 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.65 131.0 43.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.092 -0.504 . . . . 74.21 110.237 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.71 -10.75 56.11 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.631 -0.795 . . . . 65.33 112.649 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 18.9 pt20 -88.84 156.59 18.85 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 117.227 0.514 . . . . 72.3 110.175 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -98.88 129.72 45.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.013 -0.54 . . . . 70.3 109.857 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.28 162.19 40.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.036 0.446 . . . . 74.13 110.873 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.2 m -116.92 148.52 41.28 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.628 -0.878 . . . . 73.55 108.628 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.522 ' CE1' HG11 ' A' ' 26' ' ' VAL . 22.9 p90 -162.92 160.55 25.0 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.24 0.543 . . . . 70.22 111.123 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -87.06 148.05 25.43 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.493 -0.928 . . . . 71.2 108.493 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.0 p -102.63 130.9 51.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.379 0.609 . . . . 75.3 111.918 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.528 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 23.5 mm-40 -104.0 140.16 38.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.342 -0.845 . . . . 65.14 109.857 173.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.02 148.29 46.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.782 0.325 . . . . 63.44 110.448 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 57' ' ' GLY . . . -132.28 157.2 22.39 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.779 -0.724 . . . . 32.15 111.45 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -86.21 4.81 37.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.118 0.485 . . . . 72.05 110.752 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -137.52 -52.39 0.65 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.391 -0.822 . . . . 75.05 109.159 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.413 ' O ' ' HA3' ' A' ' 54' ' ' GLY . . . -150.44 162.82 29.41 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.043 -0.823 . . . . 50.15 111.043 176.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.1 143.63 44.94 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.599 2.199 . . . . 72.31 112.365 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.528 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 24.6 pt20 -115.11 160.43 19.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.966 0.413 . . . . 63.34 110.615 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.5 129.56 36.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.769 -0.651 . . . . 72.34 111.143 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.36 136.61 39.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.702 -0.481 . . . . 55.43 109.702 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 61.48 88.35 0.09 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.157 0.503 . . . . 65.22 110.18 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -91.87 113.61 27.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.144 0.497 . . . . 74.33 111.16 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -92.95 125.09 37.37 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.047 -0.723 . . . . 73.23 109.047 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -69.98 120.29 15.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.135 0.493 . . . . 74.53 111.283 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.245 0.862 0 CA-C-N 115.592 -0.731 . . . . 70.14 109.135 174.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.74 ' HB3' HH11 ' A' ' 20' ' ' ARG . 5.7 mm-40 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.942 0.401 . . . . 73.51 110.735 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -139.22 146.28 40.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.253 -0.647 . . . . 75.3 109.253 174.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.55 162.27 29.86 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.445 -0.883 . . . . 52.11 112.453 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 30.4 m -101.43 125.33 48.05 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 110.317 -0.253 . . . . 70.43 110.317 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.33 111.83 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.23 -0.656 . . . . 61.32 109.23 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HD2' ' HB2' ' A' ' 19' ' ' GLU . 82.1 tttt -88.07 -55.98 3.52 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.012 -0.275 . . . . 70.3 111.113 -172.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -158.95 138.64 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.0 -0.28 . . . . 71.25 110.821 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 65.4 t80 -98.65 99.9 11.07 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.726 -0.472 . . . . 71.21 109.726 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.971 HD22 ' HB2' ' A' ' 13' ' ' LYS . 4.8 p-10 -71.81 82.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.962 0.887 . . . . 74.14 110.519 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.74 -26.56 68.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.759 -1.11 . . . . 62.12 112.32 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -72.64 -11.35 60.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.184 0.516 . . . . 72.13 110.914 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.971 ' HB2' HD22 ' A' ' 10' ' ' ASN . 30.7 mmmt -113.55 -21.23 10.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.037 -0.529 . . . . 74.33 110.091 173.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.5 26.73 24.48 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.83 -0.623 . . . . 63.24 112.548 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.756 ' HB2' HD21 ' A' ' 10' ' ' ASN . 96.4 m-85 -135.07 -178.22 5.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.552 -0.381 . . . . 74.32 109.998 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -140.4 154.22 23.97 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.738 -0.744 . . . . 63.14 111.6 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -111.5 134.36 53.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.995 0.426 . . . . 64.24 110.305 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 30.8 mt -114.59 136.13 52.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 CA-C-N 115.567 -0.742 . . . . 63.23 109.746 175.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.777 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 36.7 tt0 -103.31 123.39 46.7 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.25 -0.887 . . . . 73.13 110.074 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.74 HH11 ' HB3' ' A' ' 2' ' ' GLU . 11.8 ttp180 -122.66 176.3 6.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.896 -0.779 . . . . 74.21 108.896 176.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' H ' ' HG2' ' A' ' 20' ' ' ARG . 10.5 mm-40 -67.65 -7.26 25.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.017 0.436 . . . . 75.33 111.189 -178.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.03 12.61 25.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 71.42 110.779 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.95 155.7 9.16 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.62 -0.8 . . . . 33.41 112.85 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.777 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 18.7 p-10 -98.6 57.62 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.659 0.743 . . . . 71.22 110.103 177.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -122.51 15.51 10.37 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.563 -0.744 . . . . 73.4 110.45 -173.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.549 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 49.1 t -87.08 120.49 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.352 -0.385 . . . . 75.15 110.9 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -88.38 144.89 26.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 55.42 111.244 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 m -138.81 149.09 23.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 116.022 -0.535 . . . . 75.53 111.146 173.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -145.68 178.49 8.11 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.639 -0.874 . . . . 64.2 108.639 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' O ' HG22 ' A' ' 33' ' ' ILE . 94.4 m-85 -63.8 -10.02 17.87 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.658 0.614 . . . . 71.1 112.658 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -69.53 -19.18 63.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.146 0.498 . . . . 71.33 110.647 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -102.8 -25.07 13.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.96 -0.564 . . . . 54.21 112.021 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.508 ' HA ' HG21 ' A' ' 63' ' ' VAL . 11.4 tp -63.07 148.48 11.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 123.545 0.528 . . . . 53.52 111.972 -170.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.519 HE21 ' HB2' ' A' ' 38' ' ' PHE . 13.6 pt20 -80.25 -178.65 6.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.466 -0.788 . . . . 71.13 109.975 176.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -135.23 -155.08 7.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.563 -0.827 . . . . 64.1 111.692 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 71.87 -56.4 0.64 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.308 0.643 . . . . 74.41 111.928 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.69 -51.92 0.3 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.747 -0.739 . . . . 54.15 113.235 -176.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.519 ' HB2' HE21 ' A' ' 34' ' ' GLN . 98.2 m-85 -119.09 117.16 27.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.508 -0.407 . . . . 70.22 110.934 -176.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -94.76 0.65 55.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.367 0.603 . . . . 73.45 110.007 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.7 m -151.16 157.56 42.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 62.32 109.71 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.481 ' HB3' HE21 ' A' ' 45' ' ' GLN . 98.7 mt -113.98 165.0 13.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.011 0.434 . . . . 74.1 111.175 -175.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.583 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 0.9 OUTLIER -84.11 126.71 33.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.402 -0.817 . . . . 51.33 111.037 179.838 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.72 114.71 7.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.201 -0.666 . . . . 62.04 109.201 174.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.28 -1.34 26.69 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.5 -0.857 . . . . 72.33 112.868 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.583 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 15.8 pt20 -102.37 152.84 20.63 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 117.423 0.612 . . . . 73.23 110.023 177.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -93.66 134.37 36.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.049 -0.523 . . . . 75.44 110.033 177.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.468 HG21 HD13 ' A' ' 41' ' ' LEU . 1.3 m -140.75 154.85 21.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.989 0.423 . . . . 73.05 110.696 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 25.1 m -86.31 137.72 32.38 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.96 -0.563 . . . . 62.22 109.886 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.642 ' CZ ' HG22 ' A' ' 63' ' ' VAL . 8.5 m-85 -141.61 147.13 37.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 64.2 111.294 -175.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.66 103.45 15.14 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.166 -0.679 . . . . 74.43 109.166 170.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.612 HG12 ' HG3' ' A' ' 2' ' ' GLU . 11.0 p -95.8 141.37 15.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.048 0.452 . . . . 64.53 111.941 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -134.15 142.79 47.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.756 -0.656 . . . . 60.52 109.869 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 2.0 mp0 -85.46 118.65 25.12 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.243 -0.435 . . . . 70.34 110.758 -176.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.75 164.89 23.06 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.691 -0.766 . . . . 74.24 111.285 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -78.03 63.74 3.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.349 . . . . 74.54 111.098 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 171.73 -26.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.523 -0.762 . . . . 71.14 109.352 -177.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.49 151.85 7.35 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.08 -0.808 . . . . 73.53 111.08 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.513 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 57.2 Cg_endo -73.7 120.37 6.39 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.313 2.009 . . . . 64.03 112.064 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -112.64 144.0 42.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.06 0.457 . . . . 70.03 109.832 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 51' ' ' VAL . . . -96.95 132.6 42.57 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.118 -0.492 . . . . 30.12 110.126 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.526 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . . . -122.54 169.01 11.44 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.258 -0.645 . . . . 71.22 109.258 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 58.84 94.44 0.03 OUTLIER 'General case' 0 C--O 1.242 0.66 0 CA-C-O 120.816 0.341 . . . . 74.2 110.965 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.642 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 61.9 t -82.99 134.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.815 -0.63 . . . . 71.24 111.084 176.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.612 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 60.7 tt0 -133.94 125.17 27.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.805 -0.813 . . . . 65.24 108.805 171.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -61.85 131.31 49.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.157 0.503 . . . . 72.01 111.385 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.245 0.835 0 CA-C-N 115.461 -0.79 . . . . 53.23 109.366 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.13 -0.322 . . . . 62.34 110.13 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? -131.33 125.73 33.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.073 -0.714 . . . . 73.51 109.073 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . -162.8 -153.11 7.06 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.116 -1.04 . . . . 34.14 112.937 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.0 m -132.66 142.59 49.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.644 -0.278 . . . . 74.21 110.287 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 41' ' ' LEU . 46.8 t -71.17 124.37 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.826 -0.435 . . . . 71.25 109.826 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -95.89 -42.26 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.075 -0.25 . . . . 63.02 111.559 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -160.28 159.38 31.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.833 -0.432 . . . . 75.0 109.833 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.464 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 6.4 p90 -141.87 110.96 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.402 0.62 . . . . 75.33 110.262 177.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.514 HD21 ' HB2' ' A' ' 15' ' ' PHE . 7.5 p-10 -81.48 81.98 7.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 122.37 1.081 . . . . 74.0 110.058 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.81 -16.72 64.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.692 -1.14 . . . . 53.22 111.089 -177.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.85 -31.31 64.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.727 -0.67 . . . . 52.4 111.067 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -125.64 0.44 7.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.496 -0.32 . . . . 73.34 111.372 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.499 ' HA2' ' HE2' ' A' ' 30' ' ' PHE . . . 81.71 42.71 8.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.639 -0.791 . . . . 43.52 113.078 174.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.514 ' HB2' HD21 ' A' ' 10' ' ' ASN . 94.2 m-85 -137.09 -173.68 3.52 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.452 -0.573 . . . . 61.14 109.452 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 9' ' ' PHE . . . -172.07 176.14 45.19 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.665 -0.778 . . . . 44.35 111.888 173.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -121.63 133.0 54.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.672 -0.492 . . . . 75.02 109.672 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.9 mt -112.57 143.93 21.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.876 -0.602 . . . . 72.04 109.533 177.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.71 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 37.2 tt0 -101.25 117.33 34.76 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.917 -0.583 . . . . 50.02 110.031 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 24.2 ptt180 -107.05 -174.86 2.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.547 -0.908 . . . . 73.54 108.547 175.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.87 -45.4 78.2 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.944 -0.303 . . . . 65.25 111.11 -177.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -96.8 18.59 14.15 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.536 0.569 . . . . 71.22 112.536 -175.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.488 ' O ' ' HG2' ' A' ' 20' ' ' ARG . . . 165.95 137.88 2.3 Favored Glycine 0 C--O 1.227 -0.319 0 C-N-CA 119.449 -1.358 . . . . 70.3 113.691 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.71 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.4 p-10 -115.24 58.08 0.72 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.564 0.697 . . . . 64.31 110.032 178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -152.48 30.35 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.339 -0.846 . . . . 43.22 109.381 -175.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.76 120.06 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.829 -0.623 . . . . 62.1 110.681 -176.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -73.9 111.81 9.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.029 -0.532 . . . . 73.04 111.094 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 p -98.79 138.92 21.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.21 0.528 . . . . 72.21 110.313 176.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -125.98 149.91 48.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.419 -0.809 . . . . 72.21 109.307 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.668 ' HA ' HG12 ' A' ' 33' ' ' ILE . 65.2 m-85 -64.94 -14.67 60.7 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.112 0.412 . . . . 61.02 112.112 -175.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 m -70.58 -3.51 18.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.984 0.421 . . . . 62.22 111.01 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.71 11.13 16.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 60.13 110.985 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.668 HG12 ' HA ' ' A' ' 30' ' ' PHE . 50.9 mm -87.77 134.23 28.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.551 -0.295 . . . . 71.21 110.538 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -80.64 -176.0 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 72.23 110.452 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.98 89.73 0.88 Allowed Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.404 -0.903 . . . . 71.5 111.67 175.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -121.38 156.77 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.1 -0.704 . . . . 55.23 109.1 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.78 -27.48 73.32 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.683 -0.77 . . . . 40.1 111.52 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -117.83 99.58 7.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.758 -0.83 . . . . 75.02 108.758 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.18 -0.03 43.14 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.189 0.518 . . . . 71.31 111.274 -171.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.532 ' HA ' ' HE1' ' A' ' 30' ' ' PHE . 37.8 m -104.05 157.61 16.99 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.085 -0.709 . . . . 63.14 109.085 173.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.584 ' HB3' HG21 ' A' ' 6' ' ' VAL . 84.9 mt -107.45 128.92 54.92 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.769 -0.372 . . . . 63.43 110.538 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -101.11 144.2 30.29 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.321 0.582 . . . . 70.55 110.804 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.04 122.86 17.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.284 -0.871 . . . . 74.25 110.123 -176.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.29 -21.64 10.71 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.297 -0.954 . . . . 61.5 113.109 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.437 ' NE2' ' HA ' ' A' ' 41' ' ' LEU . 26.0 pt20 -81.27 138.21 35.76 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.573 -0.851 . . . . 61.12 110.304 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.89 134.26 33.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.774 -0.648 . . . . 74.04 110.79 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.9 m -138.61 148.23 24.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.372 0.606 . . . . 64.41 111.523 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.3 m -108.32 132.55 53.6 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.688 -1.227 . . . . 74.2 107.688 170.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -148.89 154.01 38.84 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.871 -0.418 . . . . 74.21 109.871 -171.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.617 ' HB2' HD21 ' A' ' 62' ' ' ASN . 33.7 t0 -87.06 160.22 18.67 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 119.271 -0.971 . . . . 55.33 109.665 176.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -120.21 124.08 71.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.437 0.637 . . . . 61.42 111.119 -175.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.483 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 42.7 mt-10 -95.09 124.39 39.1 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.738 -0.838 . . . . 71.43 108.738 174.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.98 128.12 35.64 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.758 -0.46 . . . . 74.2 109.758 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.53 153.47 38.89 Favored Glycine 0 N--CA 1.439 -1.108 0 C-N-CA 120.579 -0.819 . . . . 63.42 113.304 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -73.93 -20.75 60.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.737 -0.838 . . . . 63.35 108.737 171.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.0 mtp85 -150.93 -54.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.312 -1.313 . . . . 73.0 108.493 175.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.402 ' HA2' ' HD3' ' A' ' 58' ' ' PRO . . . -116.56 144.28 18.37 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.117 -0.947 . . . . 63.41 111.048 173.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.402 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 13.7 Cg_exo -69.34 137.99 38.06 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 123.16 2.573 . . . . 63.42 112.287 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.483 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 14.1 pt20 -119.73 152.36 37.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.269 -0.423 . . . . 64.22 110.395 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.46 142.51 27.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 52.41 111.894 -175.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB2' ' HG3' ' A' ' 52' ' ' GLU . . . -122.7 152.77 40.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.415 -0.812 . . . . 54.31 108.934 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.617 HD21 ' HB2' ' A' ' 50' ' ' ASP . 0.3 OUTLIER 23.24 101.59 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.283 1.216 . . . . 65.53 114.283 -173.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.9 t -97.12 110.41 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.584 -1.189 . . . . 71.44 110.887 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -100.91 154.15 18.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.375 -0.83 . . . . 64.44 109.56 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -81.22 130.34 34.99 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.813 -0.44 . . . . 74.34 109.813 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.613 -0.708 . . . . 64.41 110.444 -178.022 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.596 ' HG3' ' H ' ' A' ' 3' ' ' GLN . 4.5 tp10 . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 120.937 0.399 . . . . 71.44 110.042 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.596 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 23.5 tm0? -146.21 140.46 26.59 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 107.834 -1.173 . . . . 61.33 107.834 172.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.54 -153.6 8.12 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 119.461 -1.352 . . . . 71.1 113.397 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.3 m -142.53 145.73 33.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.565 -0.317 . . . . 74.32 110.202 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.89 114.38 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.73 -0.47 . . . . 44.32 109.73 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -74.15 -49.26 24.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.031 0.443 . . . . 74.35 110.175 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -166.69 171.48 11.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.846 -0.615 . . . . 61.4 109.356 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -140.35 101.57 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.514 0.674 . . . . 61.43 110.896 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.712 HD21 ' HB2' ' A' ' 15' ' ' PHE . 4.8 p-10 -77.74 82.78 4.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.721 0.772 . . . . 62.31 110.871 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.04 -19.02 63.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.3 -0.864 . . . . 73.44 111.568 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -54.34 -41.13 68.72 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.873 -0.603 . . . . 63.01 110.641 174.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.574 ' HB2' HD22 ' A' ' 10' ' ' ASN . 26.7 mmtp -106.33 -10.64 16.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.641 -0.709 . . . . 65.54 110.623 -177.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.49 36.97 18.7 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.844 -0.693 . . . . 73.43 111.744 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.712 ' HB2' HD21 ' A' ' 10' ' ' ASN . 77.8 m-85 -138.37 -174.93 3.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.566 -0.531 . . . . 73.04 109.566 -178.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.9 174.36 39.23 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 110.968 -0.853 . . . . 64.22 110.968 173.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -117.66 133.71 55.65 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.084 -0.339 . . . . 62.04 110.084 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -116.73 138.25 47.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.905 -0.589 . . . . 74.51 109.543 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.632 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 8.9 pt-20 -108.93 125.09 51.65 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.372 0.606 . . . . 64.41 110.934 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.59 ' HD3' ' HE2' ' A' ' 49' ' ' PHE . 44.1 mtm180 -102.67 168.61 9.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.496 -0.774 . . . . 71.21 110.204 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -77.0 -11.1 59.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.54 0.686 . . . . 71.3 109.779 172.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -111.0 19.58 18.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.06 -0.973 . . . . 75.43 109.63 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.63 118.11 1.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.965 -0.636 . . . . 52.41 111.914 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.632 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 5.3 p-10 -89.75 56.23 3.45 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.634 0.731 . . . . 74.32 111.512 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -156.83 95.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 72.22 110.903 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.826 HG11 ' HZ ' ' A' ' 49' ' ' PHE . 59.7 t -139.54 137.24 40.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.498 . . . . 63.34 110.127 172.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -85.78 111.33 20.05 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.181 -0.303 . . . . 75.34 110.181 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 p -96.27 140.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.259 0.552 . . . . 74.4 110.478 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -129.27 154.08 47.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.331 -0.989 . . . . 64.11 108.331 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.616 ' HA ' HD13 ' A' ' 33' ' ' ILE . 32.9 p90 -67.51 5.14 0.84 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.538 0.57 . . . . 74.32 112.538 -174.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 p -80.34 -19.57 46.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.803 0.335 . . . . 73.52 111.098 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.64 0.46 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 54.14 111.881 -177.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.616 HD13 ' HA ' ' A' ' 30' ' ' PHE . 2.4 mp -95.58 140.55 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.35 -0.386 . . . . 35.02 110.026 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.491 HE22 ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -106.33 -170.65 1.76 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.395 -0.366 . . . . 72.1 110.456 -178.276 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.85 88.67 1.48 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.374 -0.917 . . . . 71.22 111.733 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -96.87 -20.78 17.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.561 0.696 . . . . 73.15 110.587 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.55 -39.92 2.3 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.828 -1.309 . . . . 70.11 109.828 -172.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -105.57 109.59 21.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.893 -0.78 . . . . 73.3 108.893 172.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 8.47 25.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.346 0.593 . . . . 74.31 110.606 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -120.04 162.75 18.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.326 -0.852 . . . . 64.15 109.123 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.88 147.74 29.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.75 0.31 . . . . 72.4 110.998 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.681 ' HB2' HE21 ' A' ' 45' ' ' GLN . 16.8 m-20 -111.02 132.45 54.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.955 -0.566 . . . . 63.04 110.102 178.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.36 113.31 6.57 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.237 0.541 . . . . 73.54 110.112 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.06 -4.96 28.75 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.328 -0.939 . . . . 43.42 113.534 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.681 HE21 ' HB2' ' A' ' 42' ' ' ASP . 6.9 pt20 -83.02 144.41 29.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.773 0.786 . . . . 71.02 110.34 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.6 142.87 27.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.985 -0.552 . . . . 73.32 110.78 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -145.2 153.94 14.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.25 -0.432 . . . . 64.2 111.192 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.8 m -85.91 133.72 33.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.225 -1.398 . . . . 71.41 107.225 167.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.826 ' HZ ' HG11 ' A' ' 26' ' ' VAL . 1.9 t80 -152.61 141.77 21.38 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.058 -0.657 . . . . 70.2 111.154 -165.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 61' ' ' ALA . 26.8 t70 -110.03 146.25 35.65 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.429 -0.508 . . . . 75.42 109.696 174.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.22 129.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.904 0.383 . . . . 74.13 111.025 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -116.03 136.7 52.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.174 -0.466 . . . . 74.11 109.765 174.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.68 139.32 53.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.876 -0.602 . . . . 70.13 110.374 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -131.78 174.03 20.32 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.825 -0.703 . . . . 72.11 111.845 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -64.12 107.87 1.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.484 0.183 . . . . 62.35 110.881 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 56' ' ' ARG . 44.8 mtp180 65.16 20.83 12.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.885 -0.598 . . . . 74.22 111.797 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.16 129.52 1.06 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.597 -0.811 . . . . 74.33 112.38 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.24 143.62 35.79 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.746 2.298 . . . . 72.44 111.817 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -114.62 162.65 16.49 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.118 0.485 . . . . 62.13 110.752 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.559 ' HA ' ' HE1' ' A' ' 49' ' ' PHE . . . -73.77 135.33 43.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.27 -0.877 . . . . 45.13 111.692 -177.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 50' ' ' ASP . . . -134.25 114.97 13.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.831 -0.622 . . . . 65.15 109.833 175.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 64.39 91.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.025 0.44 . . . . 74.3 110.736 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.51 101.63 12.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.2 -0.667 . . . . 72.24 109.2 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.491 ' HA ' HE22 ' A' ' 34' ' ' GLN . 62.9 tt0 -103.49 135.15 45.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.149 -175.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -64.04 131.45 47.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.362 -0.381 . . . . 63.33 110.559 -177.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.573 -0.727 . . . . 71.12 110.211 178.804 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 N--CA 1.444 -0.76 0 CA-C-O 121.06 0.457 . . . . 71.33 111.509 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -92.7 124.74 36.93 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.533 -0.914 . . . . 71.13 108.533 173.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.42 -157.96 13.48 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.087 -1.054 . . . . 73.04 112.691 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.3 m -117.96 138.81 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.661 0.267 . . . . 74.54 110.524 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.19 109.17 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.681 -0.488 . . . . 74.23 109.681 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -70.12 -58.31 3.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.174 -0.467 . . . . 73.33 110.124 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -166.94 140.32 3.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.014 -0.539 . . . . 74.11 109.985 -176.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.695 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 8.0 p90 -115.24 94.85 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.587 0.708 . . . . 55.14 110.108 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -68.68 89.76 0.39 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.682 -0.69 . . . . 54.44 111.707 -175.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.93 -14.32 62.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.617 -0.72 . . . . 65.3 110.445 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -55.4 -37.06 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.292 -0.867 . . . . 73.24 110.507 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -118.53 -11.79 9.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.732 -0.667 . . . . 73.22 110.643 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.26 43.58 6.2 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.876 -0.602 . . . . 60.33 112.439 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -139.41 -167.4 2.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.014 0.435 . . . . 74.43 110.633 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.695 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -162.81 160.15 32.56 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.288 -0.725 . . . . 72.04 111.288 176.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 94.0 m-85 -135.61 134.55 39.42 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.114 0.483 . . . . 73.14 110.868 178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.538 HG12 ' CG2' ' A' ' 28' ' ' VAL . 41.4 mm -109.05 146.37 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.43 -0.805 . . . . 52.21 109.716 177.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -102.35 127.21 49.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.47 -0.567 . . . . 74.15 109.47 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -123.67 175.33 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.362 0.601 . . . . 72.32 112.309 -171.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.64 -48.3 60.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.948 -1.024 . . . . 70.13 111.112 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -97.09 -21.23 17.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.844 -0.616 . . . . 72.52 111.181 -172.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.42 152.39 21.96 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.482 -0.866 . . . . 63.14 112.874 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -112.55 143.08 44.31 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.354 -0.239 . . . . 72.1 110.354 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 54.28 77.94 0.18 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.715 -0.675 . . . . 70.15 111.609 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 40.9 t -86.14 134.35 27.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.661 -0.7 . . . . 50.5 109.327 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -70.8 109.75 5.17 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.547 0.53 . . . . 71.12 111.708 -173.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.538 ' CG2' HG12 ' A' ' 18' ' ' ILE . 46.8 t -102.96 131.44 51.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.974 -0.38 . . . . 73.12 109.974 175.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.17 151.1 50.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.87 -0.605 . . . . 64.24 109.823 178.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.436 ' HZ ' ' HD3' ' A' ' 39' ' ' LYS . 13.7 t80 -60.91 -20.74 62.53 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.153 0.427 . . . . 72.21 112.153 -170.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -64.09 -20.33 65.88 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.946 0.403 . . . . 52.43 111.287 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.569 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -92.1 -10.47 38.87 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.903 0.382 . . . . 72.32 111.787 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.423 HG21 ' O ' ' A' ' 39' ' ' LYS . 26.8 mm -80.85 137.52 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.921 -0.582 . . . . 74.34 110.67 -174.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -111.64 -176.9 3.05 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.141 -0.689 . . . . 75.05 109.141 172.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.52 88.84 1.18 Allowed Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 119.927 -1.13 . . . . 55.33 111.81 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -112.67 79.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.105 -0.702 . . . . 55.1 109.105 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.93 -55.98 3.51 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.268 -0.733 . . . . 54.31 111.268 -171.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -133.48 168.62 18.29 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.299 -0.63 . . . . 53.34 109.299 176.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HD3' ' HZ ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -105.52 7.99 33.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.535 0.683 . . . . 63.21 109.719 173.313 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -111.08 138.34 47.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.086 -0.961 . . . . 70.32 109.017 174.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.4 mt -105.84 135.25 47.61 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.76 -0.459 . . . . 70.24 109.76 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 3.8 p-10 -96.19 125.59 40.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.604 0.716 . . . . 60.43 110.691 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.473 ' HG3' ' HE1' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -64.02 132.56 50.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.85 -0.614 . . . . 43.21 110.615 -178.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.59 -15.63 24.35 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.587 -0.733 . . . . 54.03 112.087 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 3.9 pt20 -84.39 152.01 24.33 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.856 0.36 . . . . 54.2 110.775 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.63 123.39 40.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.014 -0.539 . . . . 65.44 110.001 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.8 m -139.19 172.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.42 -0.354 . . . . 62.13 111.08 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.52 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 21.7 m -123.73 145.27 49.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.755 -0.657 . . . . 72.23 109.735 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.73 ' CE2' HG22 ' A' ' 63' ' ' VAL . 60.6 m-85 -135.61 150.2 49.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.176 0.512 . . . . 74.32 110.873 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -86.71 150.97 23.8 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.309 -0.997 . . . . 62.02 108.309 167.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p -107.58 134.64 48.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.251 0.548 . . . . 64.51 111.929 -170.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -123.33 123.57 41.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.471 -0.786 . . . . 73.23 109.915 173.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -90.36 114.62 26.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.011 0.434 . . . . 70.54 109.993 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -116.19 -171.15 16.05 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.84 -0.695 . . . . 73.33 113.032 -175.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -83.84 -18.5 37.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.884 0.374 . . . . 64.13 110.914 -176.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.775 ' HA ' ' HE ' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -91.56 -37.75 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.109 0.481 . . . . 73.4 109.977 177.408 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.5 -170.29 38.04 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.539 -0.755 . . . . 54.35 111.262 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -70.42 114.47 3.82 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.382 2.055 . . . . 74.14 111.903 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -95.97 136.96 35.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.452 . . . . 73.24 110.454 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.487 ' HB3' HG22 ' A' ' 28' ' ' VAL . . . -89.28 115.0 26.44 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.98 -0.748 . . . . 73.1 108.98 174.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.569 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -121.71 164.86 16.68 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.002 -0.544 . . . . 52.54 110.152 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 51.92 90.68 0.02 OUTLIER 'General case' 0 C--O 1.242 0.67 0 O-C-N 123.43 0.456 . . . . 61.04 111.171 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.73 HG22 ' CE2' ' A' ' 49' ' ' PHE . 44.1 t -75.53 113.18 14.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 70.13 111.289 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.52 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 36.4 tt0 -106.37 135.95 46.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.254 -0.647 . . . . 62.22 109.254 175.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.467 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 13.4 tptm -86.64 148.77 25.32 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 121.044 -0.262 . . . . 72.22 110.495 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.667 -0.682 . . . . 74.13 110.07 179.264 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 26.3 mm-40 . . . . . 0 N--CA 1.446 -0.638 0 N-CA-C 109.499 -0.556 . . . . 72.54 109.499 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -114.02 143.68 44.35 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.834 -0.621 . . . . 41.1 109.797 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . 176.96 -176.46 48.06 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.594 -0.812 . . . . 74.33 112.195 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.9 m -91.04 132.55 35.94 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.838 0.351 . . . . 75.43 110.593 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 50.4 t -68.27 110.77 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.358 -0.608 . . . . 65.44 109.358 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -68.93 -61.97 1.58 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.387 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.9 t90 -178.46 140.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 74.21 109.553 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.901 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 17.6 p90 -99.34 113.69 26.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.206 0.527 . . . . 72.22 110.283 178.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -73.52 83.59 1.51 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.803 0.811 . . . . 61.32 110.959 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.49 -12.06 28.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.98 -1.009 . . . . 73.43 110.966 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -54.71 -44.87 73.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.738 -0.665 . . . . 63.31 110.405 174.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.73 -3.21 13.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 62.31 110.576 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.13 47.64 6.42 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.666 -0.697 . . . . 51.34 112.43 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -137.04 -165.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.493 -0.558 . . . . 70.25 109.493 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.901 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -157.73 161.73 31.6 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.8 -0.714 . . . . 55.42 112.034 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -129.23 133.9 47.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.932 0.396 . . . . 73.34 110.321 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.545 HG13 HG21 ' A' ' 28' ' ' VAL . 70.2 mt -129.83 145.84 35.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.232 -0.655 . . . . 61.43 109.232 176.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.415 ' O ' ' HA3' ' A' ' 4' ' ' GLY . 27.1 tt0 -111.69 119.06 37.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.752 0.31 . . . . 75.31 110.365 -176.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -90.03 157.63 17.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.892 0.377 . . . . 63.1 110.615 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.98 -13.47 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.824 0.821 . . . . 75.23 108.861 169.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -112.57 18.71 18.16 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.855 -1.066 . . . . 65.01 110.368 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.5 108.44 0.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.217 -0.992 . . . . 43.34 112.642 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.44 143.9 46.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.841 0.353 . . . . 53.41 111.599 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.9 t70 63.94 99.4 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.179 -0.918 . . . . 72.13 112.57 175.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.1 t -120.36 134.63 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.676 -0.693 . . . . 71.41 110.185 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -81.8 106.09 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 73.31 110.626 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.545 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 62.0 t -88.43 132.01 34.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.063 -0.517 . . . . 71.23 111.056 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -118.94 177.75 4.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.899 -0.591 . . . . 54.3 109.968 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' HA ' HD13 ' A' ' 33' ' ' ILE . 50.6 p90 -67.27 -12.06 59.13 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.715 0.293 . . . . 61.23 111.486 -177.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 p -76.43 -15.87 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.093 0.473 . . . . 54.13 111.13 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.478 ' HB1' HG23 ' A' ' 63' ' ' VAL . . . -83.61 -29.67 27.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 72.12 110.694 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 30' ' ' PHE . 1.8 mp -62.63 136.95 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 73.42 110.299 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.444 ' H ' ' CD ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -101.43 176.77 5.13 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.807 -0.633 . . . . 71.31 110.734 -176.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 37' ' ' GLY . . . -78.59 -135.87 1.04 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.853 -0.689 . . . . 70.44 112.065 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 71.32 -40.02 0.47 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.255 0.622 . . . . 75.11 111.58 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 35' ' ' GLY . . . 138.2 27.13 0.31 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.793 -0.523 . . . . 61.12 111.793 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.99 161.08 15.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.246 0.546 . . . . 74.21 111.787 -175.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.28 -30.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.749 -1.114 . . . . 65.42 108.61 174.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 m -94.92 124.42 38.96 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.369 -0.832 . . . . 64.21 109.321 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.5 mt -106.63 148.03 28.81 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.784 -0.45 . . . . 71.1 109.784 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 6.2 m-20 -82.29 121.23 26.4 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.087 0.47 . . . . 74.31 110.28 -176.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.72 117.7 16.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.393 0.616 . . . . 75.41 110.179 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.45 -14.62 13.23 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.428 -0.805 . . . . 74.51 112.616 -175.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 23.9 pt20 -90.26 157.34 17.73 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.515 0.657 . . . . 74.34 110.737 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.65 135.38 40.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 73.34 110.774 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.4 m -135.49 163.8 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.338 -0.392 . . . . 53.02 110.88 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 m -119.68 134.38 55.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.409 -0.589 . . . . 75.44 109.409 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' A' ' 63' ' ' VAL . 46.4 p90 -150.38 -176.26 5.41 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 110.251 -0.277 . . . . 61.54 110.251 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -119.27 161.1 20.98 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.107 -0.637 . . . . 74.11 109.461 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 58' ' ' PRO . 8.9 p -129.82 140.55 48.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 120.305 -0.558 . . . . 70.31 111.598 -172.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -103.07 102.13 12.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.957 -0.565 . . . . 65.52 109.572 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.579 ' HG2' ' HB3' ' A' ' 58' ' ' PRO . 35.9 mt-10 -85.13 120.99 27.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.096 -0.705 . . . . 44.41 109.096 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -120.75 -154.9 9.43 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.237 -0.982 . . . . 64.21 113.438 -173.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -80.27 21.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 123.393 0.677 . . . . 75.33 112.564 -172.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -155.45 -54.27 0.09 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.947 0.403 . . . . 74.22 110.248 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.68 177.88 36.0 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.622 -0.799 . . . . 62.13 111.72 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.579 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 97.7 Cg_endo -87.67 122.32 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.041 2.494 . . . . 64.04 112.645 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -100.22 133.9 43.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.77 -0.456 . . . . 71.24 109.77 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.545 ' HB3' ' HA ' ' A' ' 28' ' ' VAL . . . -79.67 135.3 36.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.687 0.28 . . . . 62.12 111.282 -178.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.96 139.77 34.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.014 -0.539 . . . . 54.13 110.304 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.432 ' N ' ' HA ' ' A' ' 32' ' ' ALA . 3.6 t30 55.17 97.47 0.02 OUTLIER 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.819 0.818 . . . . 74.01 112.119 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.478 HG23 ' HB1' ' A' ' 32' ' ' ALA . 86.2 t -107.16 119.46 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.327 -0.851 . . . . 73.53 111.02 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -99.9 136.57 39.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.739 -0.664 . . . . 71.2 109.299 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -63.95 124.73 22.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.46 -0.336 . . . . 74.41 110.34 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.688 0 CA-C-O 118.504 -0.76 . . . . 52.05 109.553 179.305 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.622 0.249 . . . . 74.22 111.623 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -104.5 116.97 33.02 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.375 -0.602 . . . . 74.54 109.375 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.95 -177.45 20.65 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.355 -0.926 . . . . 64.34 113.018 -174.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 m -94.01 127.56 39.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.748 0.308 . . . . 23.21 111.192 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.555 ' HA ' HG12 ' A' ' 18' ' ' ILE . 48.5 t -68.15 124.75 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.34 109.931 176.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -80.23 -56.13 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.294 -0.632 . . . . 53.35 109.294 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -176.88 154.19 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.84 -0.618 . . . . 74.53 109.671 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 8.0 p90 -106.85 102.75 12.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.605 0.717 . . . . 74.42 110.807 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.664 HD21 ' HB2' ' A' ' 15' ' ' PHE . 6.9 p-10 -77.95 77.22 4.46 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.839 0.828 . . . . 63.45 110.97 -178.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.03 -15.55 62.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.127 -0.942 . . . . 70.11 110.923 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.0 -35.04 70.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.543 -0.753 . . . . 74.23 110.387 177.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -111.89 -9.42 14.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 75.1 110.385 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.89 34.97 7.96 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.971 -0.559 . . . . 51.55 112.884 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.664 ' HB2' HD21 ' A' ' 10' ' ' ASN . 92.4 m-85 -138.11 -172.84 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.188 -0.301 . . . . 53.43 110.188 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -156.72 152.47 23.84 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.344 -0.702 . . . . 71.43 111.344 174.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -113.36 134.55 54.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.945 0.402 . . . . 72.23 110.661 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.555 HG12 ' HA ' ' A' ' 6' ' ' VAL . 57.5 mt -130.16 142.04 44.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.505 -0.77 . . . . 55.33 109.508 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -104.81 118.76 37.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.11 -0.495 . . . . 74.44 110.086 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 12.7 mmm180 -110.78 176.96 4.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.202 0.525 . . . . 65.44 111.695 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -76.6 -47.53 22.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.885 . . . . 64.11 111.626 -174.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -91.92 -16.22 26.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.115 0.483 . . . . 41.44 110.395 -176.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . -153.74 129.69 2.74 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.796 -0.716 . . . . 74.51 112.238 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -106.83 167.24 10.01 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.757 -0.46 . . . . 75.32 109.757 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 62.22 55.62 2.37 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.421 0.629 . . . . 64.52 110.28 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.28 132.89 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.736 -0.666 . . . . 73.1 110.326 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -89.3 117.42 28.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 70.43 111.126 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.544 HG12 ' HB3' ' A' ' 60' ' ' ALA . 3.1 m -106.41 149.92 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.747 -0.464 . . . . 73.44 109.747 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -126.83 140.63 52.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.499 -0.318 . . . . 63.1 110.621 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.59 ' HA ' HD13 ' A' ' 33' ' ' ILE . 89.8 t80 -53.34 -35.41 60.21 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.973 0.731 . . . . 72.33 112.973 -172.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -65.82 -10.76 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.472 0.545 . . . . 51.45 112.472 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.01 -12.62 38.07 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.053 0.454 . . . . 74.42 110.745 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 30' ' ' PHE . 2.0 mp -83.36 133.4 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 74.05 110.292 -177.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -81.74 154.63 25.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.137 -0.483 . . . . 75.23 109.926 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.95 -149.73 25.45 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.195 -1.003 . . . . 75.41 113.249 -176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t70 68.2 98.74 0.06 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.389 0.614 . . . . 74.33 110.914 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.01 -65.12 3.94 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.563 -0.744 . . . . 54.1 112.469 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.61 147.28 40.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.154 0.502 . . . . 71.12 111.403 -176.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 20.24 0.93 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.163 -0.926 . . . . 70.41 108.734 173.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -133.36 155.43 49.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.635 -1.166 . . . . 65.34 109.386 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.9 mt -110.5 134.42 52.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.612 0.244 . . . . 61.05 110.436 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 11.2 m-20 -83.27 124.25 30.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.604 -0.517 . . . . 71.14 109.604 175.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -69.41 116.52 9.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.991 -0.549 . . . . 65.35 110.354 -179.013 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.13 -13.82 31.25 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.62 -0.8 . . . . 72.42 112.71 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 16.0 pt20 -86.41 158.24 19.65 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 117.1 0.45 . . . . 73.21 110.457 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.05 136.04 33.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.97 -0.559 . . . . 61.34 110.234 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.54 161.04 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.558 -0.292 . . . . 75.54 110.65 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.54 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 9.3 m -105.89 133.89 49.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.396 -0.366 . . . . 54.34 110.275 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.641 ' CE2' HG22 ' A' ' 63' ' ' VAL . 12.3 m-85 -136.47 158.02 45.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.111 -0.495 . . . . 65.42 109.758 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -110.51 107.41 17.04 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.59 -0.522 . . . . 75.24 109.59 170.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.38 147.03 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 51.13 111.303 -172.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -136.86 117.38 13.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.402 -0.817 . . . . 73.04 110.272 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.39 109.77 9.2 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.84 -0.8 . . . . 75.34 108.84 172.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -117.74 -148.5 8.68 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.562 -0.828 . . . . 63.4 113.732 -171.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -80.17 40.16 0.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.768 0.655 . . . . 54.31 112.768 -170.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 179.33 -27.3 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.703 0.287 . . . . 65.25 111.31 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.35 -168.93 37.51 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.713 -0.756 . . . . 75.15 111.719 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.85 103.47 1.58 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.932 2.421 . . . . 71.41 112.08 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -102.38 134.1 46.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.892 -0.595 . . . . 72.34 109.765 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.544 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -97.24 128.44 44.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.042 0.448 . . . . 72.01 111.392 -177.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.01 177.41 7.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.672 -0.694 . . . . 72.01 109.45 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 55.73 90.38 0.03 OUTLIER 'General case' 0 C--O 1.239 0.532 0 O-C-N 123.567 0.542 . . . . 72.42 110.98 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.641 HG22 ' CE2' ' A' ' 49' ' ' PHE . 47.6 t -94.67 124.43 47.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.036 -0.529 . . . . 72.31 111.732 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.54 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 35.1 tt0 -121.63 132.37 54.62 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.99 -0.744 . . . . 74.15 108.99 174.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -74.57 134.73 42.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.02 0.438 . . . . 61.21 111.271 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-N 115.612 -0.722 . . . . 74.23 109.352 173.562 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.535 ' OE2' ' HD2' ' A' ' 20' ' ' ARG . 7.6 tp10 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 109.074 -0.713 . . . . 74.04 109.074 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -136.61 147.27 46.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.762 0.315 . . . . 65.51 110.691 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.556 ' HA3' ' HA ' ' A' ' 20' ' ' ARG . . . -178.2 -150.32 8.6 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.7 -0.762 . . . . 54.14 112.592 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 m -139.0 138.8 37.57 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.169 -0.308 . . . . 74.34 110.169 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.14 122.19 17.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.583 -0.28 . . . . 72.44 111.028 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' H ' ' HA ' ' A' ' 18' ' ' ILE . 10.3 tppt? -74.48 -54.73 6.97 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.63 -0.507 . . . . 74.53 109.63 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.401 ' HA ' ' HB3' ' A' ' 43' ' ' GLU . 27.1 t90 -178.61 139.44 0.18 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.28 -0.873 . . . . 75.25 109.762 173.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.446 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 51.6 t80 -100.97 97.76 8.3 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.667 -0.494 . . . . 74.24 109.667 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.442 HD22 ' HB2' ' A' ' 13' ' ' LYS . 2.6 p-10 -69.0 81.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.746 0.784 . . . . 74.13 111.384 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.06 -14.86 53.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.256 -0.884 . . . . 54.21 111.12 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -57.19 -37.48 72.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.849 -0.614 . . . . 72.14 110.209 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB2' HD22 ' A' ' 10' ' ' ASN . 48.3 mmtm -104.86 -21.83 13.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.608 -0.724 . . . . 64.33 110.402 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.12 27.41 10.95 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.84 -0.695 . . . . 74.02 111.819 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.9 -170.29 3.0 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.791 -0.818 . . . . 73.21 108.791 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 9' ' ' PHE . . . -169.21 163.91 37.54 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.197 -1.001 . . . . 45.34 112.331 176.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -112.16 135.48 52.77 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.518 -0.549 . . . . 74.34 109.518 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.593 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 57.3 mt -127.43 145.06 35.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.11 0.481 . . . . 72.44 110.286 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 51.6 tt0 -101.46 145.15 29.36 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.388 -0.823 . . . . 62.55 109.164 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.556 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 16.2 ptt180 -132.69 171.4 13.91 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.188 -0.301 . . . . 74.51 110.188 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -63.06 -19.81 64.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.095 0.474 . . . . 62.33 110.821 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -102.36 13.25 35.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.709 -0.678 . . . . 53.31 111.817 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.451 ' O ' ' HG2' ' A' ' 20' ' ' ARG . . . 133.79 165.95 11.17 Favored Glycine 0 C--O 1.223 -0.551 0 C-N-CA 120.564 -0.827 . . . . 63.31 112.609 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.525 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 19.8 p-10 -95.86 56.73 1.75 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.472 0.653 . . . . 74.02 110.878 -179.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -140.66 81.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.539 0.685 . . . . 50.34 111.745 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.593 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 84.2 t -133.99 120.2 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.498 -0.774 . . . . 74.32 109.761 171.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -95.74 107.23 19.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.943 0.402 . . . . 73.54 110.729 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -99.55 150.08 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.292 -0.413 . . . . 54.11 110.883 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -144.37 164.83 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.553 . . . . 74.11 109.969 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -51.96 -40.58 61.08 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.272 0.842 . . . . 74.13 113.272 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -63.9 -3.01 2.15 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.033 0.753 . . . . 72.04 113.033 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -97.97 -15.59 20.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.681 0.277 . . . . 70.1 111.627 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.7 mp -87.93 141.94 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.014 -0.539 . . . . 74.2 110.896 -173.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.423 HE22 ' HB ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -117.51 -169.6 1.7 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 55.35 109.924 -179.666 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.89 89.16 0.56 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.28 -0.962 . . . . 21.15 111.833 174.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -100.3 -43.13 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.52 0.676 . . . . 72.52 110.22 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.36 -36.97 0.86 Allowed Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 109.825 -1.31 . . . . 15.41 109.825 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -106.18 168.52 9.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.149 -0.685 . . . . 75.43 109.149 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.64 13.76 24.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.347 0.594 . . . . 72.43 110.65 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 p -156.21 178.53 10.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.399 -0.819 . . . . 74.13 109.545 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -107.51 129.11 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.991 0.424 . . . . 74.33 110.829 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 2.9 m-20 -92.96 131.29 38.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.498 0.666 . . . . 73.43 111.35 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . 2.6 pm0 -57.88 131.41 50.3 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.942 -1.026 . . . . 73.2 110.629 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.5 -24.75 14.83 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.374 -0.917 . . . . 61.34 112.935 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.535 ' OE1' ' HE3' ' A' ' 65' ' ' LYS . 28.2 pt20 -81.0 142.01 33.84 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.024 -0.671 . . . . 72.54 110.763 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.69 135.38 39.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 62.25 110.099 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.0 m -143.47 167.48 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.269 0.556 . . . . 73.51 111.28 -177.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.605 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 24.8 m -108.26 139.47 42.91 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.205 -1.035 . . . . 72.01 108.205 171.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.537 ' CZ ' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -141.02 145.59 36.11 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 121.128 -0.229 . . . . 71.12 110.633 -170.234 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -96.97 156.58 16.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.377 -0.971 . . . . 71.31 108.377 169.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.75 131.52 62.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.473 0.654 . . . . 51.14 112.429 -171.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -119.07 103.21 9.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.11 -0.95 . . . . 63.2 109.055 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.652 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 67.9 mt-10 -71.97 123.18 22.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.032 0.444 . . . . 73.31 110.488 -177.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.3 -148.19 10.11 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.522 -0.763 . . . . 61.11 112.422 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -76.04 -34.56 59.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.809 0.338 . . . . 74.12 111.155 -174.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.45 23.46 1.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 72.01 111.712 -176.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.462 ' HA2' ' HD3' ' A' ' 58' ' ' PRO . . . -173.9 138.27 4.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.147 -1.025 . . . . 62.0 112.796 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.652 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 7.0 Cg_exo -73.1 106.32 2.13 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 123.117 2.545 . . . . 62.22 111.924 176.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -98.64 134.45 41.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.988 0.423 . . . . 74.11 110.112 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 49' ' ' PHE . . . -95.78 146.41 24.56 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.14 -0.482 . . . . 61.0 111.745 -173.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.2 158.42 43.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.377 -0.829 . . . . 61.45 109.533 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 63.1 90.64 0.08 Allowed 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.315 0.384 . . . . 51.31 110.66 -176.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.537 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 62.0 t -83.21 138.3 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.318 -0.401 . . . . 74.41 110.242 173.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.605 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 34.8 tt0 -123.5 125.28 44.62 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.69 -0.856 . . . . 71.21 108.69 169.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HE3' ' OE1' ' A' ' 45' ' ' GLN . 21.1 tptm -77.39 133.23 38.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 73.13 110.427 -175.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.298 -0.858 . . . . 74.4 110.202 179.802 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.481 ' OE2' ' HB3' ' A' ' 20' ' ' ARG . 33.1 tt0 . . . . . 0 N--CA 1.458 -0.07 0 N-CA-C 108.265 -1.013 . . . . 74.32 108.265 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -87.05 125.58 34.2 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.723 -0.391 . . . . 63.41 110.432 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.33 162.52 13.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.879 -0.677 . . . . 61.53 112.195 -177.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.8 m -117.12 126.12 52.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.617 0.246 . . . . 72.02 110.447 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.592 ' HA ' HG12 ' A' ' 18' ' ' ILE . 64.0 t -66.68 121.11 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 62.33 110.964 -177.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.86 -62.03 1.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.582 -0.281 . . . . 51.53 110.404 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -172.71 142.05 1.14 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.254 -0.43 . . . . 72.52 110.308 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.454 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 44.3 m-85 -101.69 107.21 18.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.358 -0.383 . . . . 74.31 110.688 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -73.31 77.5 1.34 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 122.393 1.092 . . . . 73.14 109.905 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.61 -11.21 42.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.61 -1.177 . . . . 60.53 111.798 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.48 -38.9 78.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.544 . . . . 60.24 110.359 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -110.76 -7.79 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.06 0.457 . . . . 75.33 110.441 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.68 44.21 5.86 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.763 -0.732 . . . . 72.1 112.487 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -138.99 -169.56 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.52 -0.548 . . . . 61.4 109.52 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -167.37 167.13 39.72 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.479 -0.867 . . . . 50.31 112.221 175.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -120.17 135.23 55.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.658 -0.497 . . . . 74.23 109.658 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.761 HD12 ' HE2' ' A' ' 49' ' ' PHE . 27.8 mt -133.92 144.38 35.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.11 -0.496 . . . . 74.23 109.692 177.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -100.59 150.23 22.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.625 -0.261 . . . . 73.22 110.513 -174.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.503 ' HD2' HG21 ' A' ' 51' ' ' VAL . 74.2 mtp180 -116.61 174.01 6.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.994 0.426 . . . . 75.34 110.756 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -84.91 -36.51 21.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.654 -0.703 . . . . 73.12 109.414 171.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -103.7 5.17 36.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.78 -0.645 . . . . 62.53 111.566 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . -157.28 160.76 30.75 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.638 -0.792 . . . . 72.24 112.459 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -119.73 152.36 37.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.916 -0.167 . . . . 60.43 110.725 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.7 t70 46.92 79.56 0.06 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 124.355 1.035 . . . . 64.33 112.313 172.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -104.85 137.12 35.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.048 -0.524 . . . . 61.32 110.225 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -84.05 116.86 23.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.414 0.626 . . . . 74.43 111.054 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.595 HG23 ' HZ ' ' A' ' 49' ' ' PHE . 7.7 p -108.45 145.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.545 -0.752 . . . . 65.43 109.872 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 31' ' ' SER . 0.6 OUTLIER -139.07 167.27 22.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.681 -0.691 . . . . 71.32 109.767 -178.783 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.581 ' HA ' HD13 ' A' ' 33' ' ' ILE . 95.4 m-85 -67.36 -8.53 33.41 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.999 0.37 . . . . 73.14 111.999 -172.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.404 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 3.6 m -66.88 -21.43 66.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.135 0.493 . . . . 75.4 110.238 173.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . . . -89.28 -19.42 25.36 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.753 -0.658 . . . . 70.35 110.967 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.581 HD13 ' HA ' ' A' ' 30' ' ' PHE . 1.7 mp -72.77 133.48 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.605 -0.725 . . . . 73.41 110.681 -177.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.82 -175.49 5.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.697 -0.683 . . . . 70.51 111.477 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.25 -129.45 4.02 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.873 -0.679 . . . . 62.22 112.691 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.18 127.5 32.43 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.21 0.529 . . . . 74.42 111.352 -176.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.37 -84.77 0.17 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.235 -0.746 . . . . 71.24 111.235 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -151.93 85.22 1.29 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.089 -0.708 . . . . 75.43 109.089 174.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.75 4.87 53.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.441 -0.799 . . . . 75.05 111.957 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 m -110.05 137.18 48.17 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.493 -0.558 . . . . 74.13 109.493 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.421 HD12 ' CZ ' ' A' ' 9' ' ' PHE . 89.0 mt -119.31 129.41 54.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.865 0.364 . . . . 75.33 111.127 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.479 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 1.7 m-20 -96.16 140.96 30.11 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 115.752 -0.658 . . . . 71.22 111.012 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HG3' ' H ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -62.96 134.64 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 63.4 111.091 -179.437 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.62 -10.9 62.93 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 120.51 -0.852 . . . . 54.44 113.142 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.479 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 18.2 pt20 -91.17 153.25 20.16 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 117.824 0.812 . . . . 60.32 110.676 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -101.52 143.01 32.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.97 -0.559 . . . . 74.43 110.812 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.01 158.55 13.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.965 -0.561 . . . . 70.3 109.675 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.634 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 11.9 m -84.49 134.38 34.44 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.61 -0.885 . . . . 74.21 108.61 173.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.761 ' HE2' HD12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -136.28 145.07 45.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.785 0.326 . . . . 75.11 110.755 -170.388 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -101.14 103.75 14.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.372 0.606 . . . . 52.02 109.888 172.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.503 HG21 ' HD2' ' A' ' 20' ' ' ARG . 6.5 p -106.73 140.32 25.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.828 -0.624 . . . . 74.24 111.174 -173.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -135.09 157.42 46.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.684 -0.689 . . . . 72.22 109.892 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -96.11 110.05 22.38 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.026 -0.731 . . . . 65.42 109.026 176.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -99.99 -147.91 21.94 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.652 -0.785 . . . . 51.45 112.936 -172.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -69.99 95.24 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.607 -0.296 . . . . 74.03 110.66 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 56' ' ' ARG . 22.6 ttm-85 76.77 -42.88 0.44 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.291 -0.868 . . . . 63.55 111.761 177.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.84 152.38 18.02 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.671 -0.776 . . . . 70.02 112.879 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.17 128.97 15.41 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.939 2.426 . . . . 60.42 111.759 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -120.15 142.38 49.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.202 -0.454 . . . . 63.34 109.893 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -124.37 145.56 49.38 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.257 -0.577 . . . . 73.05 112.325 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.565 ' HA ' ' HB2' ' A' ' 32' ' ' ALA . . . -139.86 169.77 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.296 -0.865 . . . . 61.04 109.428 177.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 60.38 94.23 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.45 0.3 . . . . 63.11 111.689 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.61 115.38 43.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 C-N-CA 120.041 -0.664 . . . . 75.43 110.479 173.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.634 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 55.0 tt0 -103.98 124.43 49.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.158 -0.682 . . . . 65.43 109.158 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -69.79 127.91 34.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.106 0.479 . . . . 74.21 111.695 -175.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.71 -0.677 . . . . 45.02 109.178 171.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.637 0.256 . . . . 74.34 110.344 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.411 HE21 ' HB1' ' A' ' 46' ' ' ALA . 54.0 tp60 -102.52 117.15 34.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.651 -0.499 . . . . 75.24 109.651 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.59 -174.64 17.02 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.266 -0.969 . . . . 61.21 113.235 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.6 m -118.07 132.38 56.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.625 0.25 . . . . 72.31 110.496 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -70.68 125.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.391 . . . . 73.15 110.368 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 43' ' ' GLU . 21.3 ttmm -81.3 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.886 -0.413 . . . . 72.34 109.886 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 21.2 t90 178.74 151.29 0.3 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.856 -0.611 . . . . 72.45 109.769 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.802 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 6.2 p90 -116.18 90.54 3.36 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 120.763 0.316 . . . . 64.13 110.458 178.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.419 ' ND2' ' H ' ' A' ' 10' ' ' ASN . 2.6 m-80 -59.47 90.77 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.211 0.529 . . . . 42.32 111.159 -156.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.25 -24.05 0.66 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 115.095 1.517 . . . . 70.23 115.095 -172.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.36 -27.46 67.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.164 0.507 . . . . 72.42 110.038 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 7.3 mmpt? -117.9 -20.38 8.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.302 -0.863 . . . . 72.1 109.642 170.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.1 72.94 0.92 Allowed Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.599 -0.728 . . . . 51.1 111.35 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 19.5 m-85 -156.29 122.83 5.12 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 120.036 -0.666 . . . . 73.05 111.778 -168.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.802 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -92.1 147.33 18.67 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.166 -1.016 . . . . 52.25 113.714 -167.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 69.3 m-85 -128.82 134.58 48.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.149 -0.526 . . . . 70.13 109.694 170.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.629 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 56.7 mt -107.49 147.3 12.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-N 115.545 -0.752 . . . . 74.31 109.304 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.813 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 25.9 tt0 -106.61 119.61 39.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.878 -0.601 . . . . 73.42 109.948 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.58 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -132.91 -176.37 4.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.15 0.5 . . . . 64.13 112.033 -176.405 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.3 -21.16 62.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.239 -0.891 . . . . 74.23 111.127 -177.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -103.23 13.24 34.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.301 -0.409 . . . . 64.32 110.453 -175.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.73 166.49 11.34 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.94 -0.648 . . . . 73.54 111.995 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.813 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 13.2 p-10 -120.88 56.73 1.0 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.687 0.756 . . . . 73.42 110.935 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -147.77 44.61 1.1 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.442 -0.799 . . . . 71.34 110.013 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 44.3 t -84.3 115.0 25.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 71.24 109.856 178.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -73.87 112.56 10.11 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.717 -0.674 . . . . 74.35 112.126 -173.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.532 ' HB ' ' HA3' ' A' ' 16' ' ' GLY . 47.1 t -94.14 110.69 23.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.059 -0.519 . . . . 74.22 110.046 175.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.46 ' HE1' ' HB2' ' A' ' 59' ' ' GLN . 3.0 p-80 -100.32 141.95 32.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.756 -0.656 . . . . 74.44 110.451 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' O ' HG22 ' A' ' 33' ' ' ILE . 38.2 p90 -71.5 -1.02 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.9 -0.591 . . . . 74.22 112.476 -173.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.3 p -84.14 -3.58 58.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.891 0.377 . . . . 70.41 111.271 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -124.98 8.12 8.04 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 116.321 -0.399 . . . . 43.01 111.734 -177.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.677 HD12 HG21 ' A' ' 63' ' ' VAL . 8.4 tp -91.55 137.41 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 51.34 111.089 -176.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -138.43 148.18 44.13 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.808 -0.812 . . . . 74.03 108.808 172.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.71 173.89 30.16 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.417 -0.896 . . . . 64.12 112.404 -176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -81.07 -46.2 15.35 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.326 -0.62 . . . . 74.54 109.326 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.52 30.76 0.47 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.76 -0.936 . . . . 72.55 110.76 176.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -136.97 168.51 19.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.287 -0.456 . . . . 74.54 109.981 -175.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.439 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -133.41 10.19 4.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.024 -0.732 . . . . 54.34 109.024 173.619 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 m -118.26 160.62 21.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.172 -0.922 . . . . 55.43 110.454 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -117.91 144.35 45.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.042 -0.526 . . . . 72.04 109.743 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -82.61 126.66 32.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.963 0.411 . . . . 75.15 110.221 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -71.47 118.88 14.84 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.419 -0.586 . . . . 54.22 109.419 178.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.79 -7.16 41.6 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.681 -0.771 . . . . 51.01 112.754 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -82.52 147.93 28.38 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.197 0.499 . . . . 73.23 110.274 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -93.1 127.38 38.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.967 -0.56 . . . . 73.33 109.769 176.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.446 HG12 ' HD2' ' A' ' 65' ' ' LYS . 2.4 m -146.17 164.03 9.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.88 0.371 . . . . 54.05 110.96 -177.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.6 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 7.9 m -103.87 135.62 45.06 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.667 -0.697 . . . . 71.34 110.138 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.736 ' CE2' HG22 ' A' ' 63' ' ' VAL . 27.8 m-85 -135.65 142.38 45.16 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.43 -0.581 . . . . 74.53 109.43 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -87.04 103.86 15.77 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.901 -0.777 . . . . 75.35 108.901 173.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.67 138.76 18.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.769 -0.65 . . . . 72.13 111.727 -170.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.769 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 30.6 mt-10 -120.72 150.79 40.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.432 -0.803 . . . . 75.45 109.18 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -92.25 109.72 21.1 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.976 -0.75 . . . . 74.0 108.976 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.55 -171.87 45.26 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.639 -0.791 . . . . 41.41 112.722 -174.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -78.3 -22.46 48.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.025 0.44 . . . . 72.21 110.906 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 56' ' ' ARG . 11.3 mmt180 -108.31 -33.42 7.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 73.31 111.121 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.62 -170.85 43.93 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 111.258 -0.737 . . . . 72.43 111.258 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -65.86 119.51 6.54 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.799 2.333 . . . . 64.33 112.037 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.769 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 10.6 pt20 -106.63 136.23 46.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.972 0.415 . . . . 72.43 110.41 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.516 ' HB1' ' CD2' ' A' ' 49' ' ' PHE . . . -98.84 123.54 43.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 65.2 111.297 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . . . -126.83 163.96 22.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.013 -0.54 . . . . 72.24 109.789 176.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 52.71 88.96 0.03 OUTLIER 'General case' 0 C--O 1.239 0.52 0 O-C-N 123.619 0.574 . . . . 73.52 111.428 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.736 HG22 ' CE2' ' A' ' 49' ' ' PHE . 47.2 t -79.67 123.52 36.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.066 -0.516 . . . . 72.3 110.771 176.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.6 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 58.5 tt0 -122.89 125.87 46.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.585 -0.524 . . . . 75.13 109.585 175.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HD2' HG12 ' A' ' 47' ' ' VAL . 27.7 tptp -74.05 126.05 29.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.864 0.364 . . . . 65.03 111.712 -175.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.253 1.273 0 CA-C-O 118.29 -0.862 . . . . 71.34 109.423 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.641 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 69.0 mm-40 . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 120.776 0.322 . . . . 75.32 110.491 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.511 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 35.8 tt0 -115.59 127.62 55.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.32 -0.4 . . . . 72.2 110.37 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . -158.03 172.55 35.18 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.804 -0.713 . . . . 72.4 112.106 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 93.6 m -90.98 138.39 31.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.042 0.448 . . . . 71.52 110.936 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.71 123.41 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.828 -0.624 . . . . 55.05 110.338 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 13.8 tppt? -74.91 -57.08 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 70.41 110.065 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -174.95 142.35 0.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.372 -0.603 . . . . 75.23 109.372 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -102.37 97.1 7.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.895 0.379 . . . . 73.35 110.571 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -76.15 79.61 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.672 0.749 . . . . 72.12 111.197 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.02 -20.64 66.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.199 -0.909 . . . . 63.22 110.951 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -54.62 -43.85 72.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.324 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.91 -21.92 21.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 74.11 110.147 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.48 35.68 7.83 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.721 -0.672 . . . . 53.15 111.506 -177.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -144.18 -169.68 3.18 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.832 -0.433 . . . . 75.12 109.832 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.6 160.55 30.0 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.845 -0.693 . . . . 74.15 111.761 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.455 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 69.8 m-85 -111.37 133.91 53.34 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.749 -0.463 . . . . 60.34 109.749 178.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.2 mt -131.11 150.57 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.756 -0.656 . . . . 63.01 109.661 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 2.6 tt0 -98.99 144.91 27.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.943 0.401 . . . . 70.41 110.698 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 50.5 mtp180 -131.8 168.54 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.907 -0.588 . . . . 64.13 109.84 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.99 -27.56 68.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.714 -0.675 . . . . 72.34 110.372 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -96.72 13.23 29.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.738 -0.665 . . . . 54.43 111.236 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.25 148.07 5.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.493 -0.86 . . . . 74.5 112.506 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.682 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 17.0 p-10 -103.93 57.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.421 0.629 . . . . 74.31 111.141 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -131.93 32.35 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.708 -0.678 . . . . 60.4 110.514 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.1 t -87.03 124.83 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.911 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.21 113.79 25.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.107 -0.497 . . . . 71.42 110.666 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.7 p -91.73 143.78 10.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 C-N-CA 120.79 -0.364 . . . . 74.5 110.038 177.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 7.9 p80 -124.82 164.45 20.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.811 -0.631 . . . . 73.0 109.844 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.543 ' HA ' HD13 ' A' ' 33' ' ' ILE . 61.1 m-85 -59.86 -24.37 64.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.584 0.957 . . . . 73.25 113.584 -169.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.481 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.5 m -59.73 -32.72 70.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.943 0.401 . . . . 71.45 110.808 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HB1' HG23 ' A' ' 63' ' ' VAL . . . -80.14 -19.85 46.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.52 110.852 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' A' ' 30' ' ' PHE . 1.7 mp -69.52 140.22 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.487 -0.779 . . . . 54.01 110.861 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.41 -164.41 1.94 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.961 -0.563 . . . . 72.22 110.155 177.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.04 -127.46 4.48 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.663 -0.78 . . . . 74.44 114.278 -170.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 83.15 -72.5 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.469 1.108 . . . . 72.11 110.954 -178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.61 -62.62 0.36 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.703 -0.76 . . . . 72.13 111.928 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -138.77 156.56 47.26 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.532 -0.544 . . . . 75.24 109.532 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.51 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -86.19 -8.78 57.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.613 0.721 . . . . 75.11 109.436 175.012 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 p -85.98 160.96 19.21 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.412 -0.813 . . . . 62.31 108.858 170.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.0 tp -105.99 128.34 53.76 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.584 -0.524 . . . . 61.5 109.584 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 15.6 m-20 -84.58 121.55 27.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.397 0.618 . . . . 52.5 111.897 -172.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 1.0 OUTLIER -67.45 122.51 18.11 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.182 -0.917 . . . . 75.22 109.597 179.21 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.23 -9.41 45.98 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.327 -0.94 . . . . 65.33 113.394 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 25.7 pt20 -88.86 155.95 19.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.728 0.764 . . . . 74.11 110.183 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -104.48 120.03 40.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.646 -0.501 . . . . 55.35 109.646 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.0 m -128.65 148.22 33.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.251 0.548 . . . . 75.43 111.045 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.587 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 5.0 m -92.83 154.88 17.99 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.901 -1.148 . . . . 63.34 107.901 172.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -163.91 174.64 11.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 118.053 0.388 . . . . 75.43 110.871 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 24.3 t70 -95.38 137.24 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.572 -0.74 . . . . 73.52 109.569 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.641 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 7.2 p -95.9 126.25 48.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.204 0.526 . . . . 74.05 111.487 -175.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 1.01 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 35.5 mt-10 -108.05 117.72 34.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.909 -0.587 . . . . 53.11 109.609 174.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.38 108.29 8.07 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.281 -1.007 . . . . 75.3 108.281 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.36 -160.36 36.39 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.9 -0.666 . . . . 74.13 113.042 -171.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -68.67 -33.01 73.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.626 -0.287 . . . . 75.14 111.545 -175.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -148.58 16.86 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.774 -0.37 . . . . 55.24 111.911 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.71 177.26 46.39 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.203 -0.999 . . . . 22.2 112.353 -178.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -87.65 127.76 2.37 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.924 2.416 . . . . 64.33 112.872 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 1.01 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 12.9 pt20 -119.18 159.18 24.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.008 -0.542 . . . . 73.04 110.043 176.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.93 126.18 51.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.131 0.419 . . . . 71.02 112.131 -173.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 50' ' ' ASP . . . -100.18 -178.96 3.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.43 -0.805 . . . . 63.22 109.355 173.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -23.96 126.57 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.282 1.216 . . . . 72.43 114.282 -168.349 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.55 HG23 ' HB1' ' A' ' 32' ' ' ALA . 95.4 t -95.8 138.65 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.716 -1.129 . . . . 71.11 111.734 -176.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.587 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 35.1 tt0 -110.38 139.32 45.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.422 -0.808 . . . . 71.44 109.06 173.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 147.18 26.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.008 0.432 . . . . 51.01 111.738 -172.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.383 -0.818 . . . . 54.54 109.767 177.418 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.605 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 1.9 pm0 . . . . . 0 N--CA 1.451 -0.378 0 CA-C-O 121.477 0.656 . . . . 73.44 110.486 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.579 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 33.1 tt0 -100.94 131.81 46.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.066 -0.97 . . . . 74.3 110.126 -177.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.5 168.29 31.54 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.518 -0.849 . . . . 42.21 112.227 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 49.4 m -90.41 128.73 36.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.726 0.298 . . . . 74.51 110.461 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.408 ' HA ' HG12 ' A' ' 18' ' ' ILE . 44.1 t -73.07 104.88 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.475 -0.565 . . . . 73.45 109.475 176.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -70.7 -38.27 73.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.93 0.395 . . . . 64.03 110.205 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.503 ' CZ3' ' HB3' ' A' ' 10' ' ' ASN . 9.3 t90 -156.81 151.4 25.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.13 -0.486 . . . . 64.22 109.871 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -130.63 98.06 4.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 74.2 110.332 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.658 HD22 ' HG3' ' A' ' 13' ' ' LYS . 4.6 p-10 -82.81 76.66 9.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.682 0.753 . . . . 73.22 110.358 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.03 -27.41 68.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.042 -0.981 . . . . 73.31 111.478 -176.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.99 -36.66 82.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.964 0.411 . . . . 74.12 110.147 176.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.658 ' HG3' HD22 ' A' ' 10' ' ' ASN . 10.1 mmpt? -82.92 -24.24 33.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.412 -0.588 . . . . 74.22 109.412 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.24 26.39 16.16 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.265 -0.88 . . . . 54.32 111.546 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -139.31 -176.32 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.063 0.459 . . . . 60.52 110.941 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -154.21 163.0 30.87 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.869 -0.892 . . . . 64.41 110.869 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -122.01 132.86 54.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.124 0.462 . . . . 72.12 110.384 177.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.503 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 46.5 mt -121.88 144.77 30.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.806 -0.634 . . . . 65.05 109.991 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.853 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 15.8 pt-20 -100.27 121.41 41.43 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.033 -0.53 . . . . 73.11 109.636 177.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -124.49 -175.16 3.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.892 -0.595 . . . . 73.21 111.348 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -67.88 -27.12 66.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.888 -1.051 . . . . 63.44 111.589 -174.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -89.11 -21.62 23.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.072 0.463 . . . . 63.14 110.766 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.98 168.6 21.26 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.918 -0.658 . . . . 63.52 111.816 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.853 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.5 p-10 -105.62 56.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.716 0.77 . . . . 70.44 110.734 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -135.48 32.46 3.07 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.383 -0.826 . . . . 53.13 110.368 -178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.503 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 46.5 t -84.67 112.0 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.098 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -76.18 117.19 17.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.763 -0.653 . . . . 74.41 112.012 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -89.99 135.55 26.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.99 -0.55 . . . . 64.51 109.896 175.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 67.7 m80 -102.92 131.88 49.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.877 -0.416 . . . . 70.41 109.877 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.447 ' HA ' HD13 ' A' ' 33' ' ' ILE . 19.6 p90 -59.38 -27.61 66.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.185 0.517 . . . . 73.41 110.413 177.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 t -74.08 -5.26 40.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.794 -0.639 . . . . 61.21 110.927 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.68 -18.93 18.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.545 -0.298 . . . . 60.01 111.276 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.475 HG13 HG21 ' A' ' 63' ' ' VAL . 2.2 mp -76.65 123.83 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 74.05 110.698 -177.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -75.41 119.16 19.12 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.968 -0.753 . . . . 73.21 108.968 171.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.54 -135.77 4.25 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.921 -0.657 . . . . 72.12 112.932 -172.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 70.65 -75.79 0.07 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.455 0.702 . . . . 70.32 110.402 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.81 -52.98 6.65 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.119 -0.563 . . . . 75.32 111.969 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -130.32 118.95 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.833 0.349 . . . . 71.31 110.668 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -96.55 10.61 37.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.062 -0.517 . . . . 75.41 110.949 177.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.0 t -153.57 154.86 35.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.047 -0.524 . . . . 62.5 110.016 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -107.68 134.17 51.04 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.613 -0.514 . . . . 53.35 109.613 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.464 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 6.6 m-20 -83.2 122.89 29.0 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.227 -0.442 . . . . 71.31 110.184 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.8 136.71 58.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.435 0.636 . . . . 71.21 110.533 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.31 -21.41 33.18 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.399 -0.819 . . . . 55.31 112.556 -177.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.464 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 22.4 pt20 -88.55 154.94 19.93 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 117.374 0.587 . . . . 73.41 110.798 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -96.04 132.87 40.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.892 -0.594 . . . . 61.1 110.158 177.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.0 m -137.68 159.82 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.463 -0.335 . . . . 73.24 110.497 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.592 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 3.8 m -105.41 146.08 29.95 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.432 -0.349 . . . . 75.13 110.381 -177.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CE2' HG22 ' A' ' 63' ' ' VAL . 29.3 m-85 -136.98 171.51 14.39 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 121.127 0.489 . . . . 70.1 111.587 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -102.82 133.44 47.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.699 -1.137 . . . . 74.25 108.706 166.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.605 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 8.0 p -90.59 142.58 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.211 0.529 . . . . 75.13 112.337 -172.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.485 ' HG3' ' HG3' ' A' ' 59' ' ' GLN . 5.4 pt-20 -145.32 151.47 38.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.775 -0.648 . . . . 74.02 110.169 173.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -95.2 124.86 39.46 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.631 -0.507 . . . . 63.41 109.631 173.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.07 -167.76 28.09 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.453 -0.88 . . . . 64.45 112.623 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -82.05 3.75 25.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.142 0.496 . . . . 73.45 110.802 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.561 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 4.1 mmp_? -122.44 -56.41 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.926 -0.579 . . . . 65.31 110.653 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.63 -157.24 13.12 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.817 -0.706 . . . . 34.22 111.753 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -67.39 115.38 3.66 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.657 2.238 . . . . 71.12 111.539 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.485 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 12.5 pt20 -128.42 159.45 35.35 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.28 -0.418 . . . . 75.13 110.06 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.84 143.02 47.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.187 0.518 . . . . 70.24 111.95 -173.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.62 166.8 23.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.395 -0.82 . . . . 61.24 109.468 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 59.04 99.68 0.02 OUTLIER 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.106 0.479 . . . . 65.04 110.741 -176.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.696 HG22 ' CE2' ' A' ' 49' ' ' PHE . 47.9 t -89.97 132.8 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.669 -0.696 . . . . 52.44 111.451 -178.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.592 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 53.7 tt0 -121.36 124.55 44.83 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.598 -0.89 . . . . 72.05 108.598 171.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -75.8 127.83 33.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.18 0.514 . . . . 70.23 111.884 -173.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.592 -0.731 . . . . 75.12 109.107 172.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 111.486 0.18 . . . . 72.24 111.486 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.642 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 51.9 mm-40 -86.59 72.56 10.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.828 0.823 . . . . 52.14 110.184 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -97.57 142.65 29.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.836 -1.074 . . . . 74.53 109.187 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.15 176.41 45.19 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.211 -0.995 . . . . 62.44 112.501 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.6 m -99.57 134.83 41.88 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.147 -0.316 . . . . 62.31 110.147 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.16 114.86 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.52 -0.548 . . . . 65.32 109.52 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -70.37 -59.22 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 51.53 109.994 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.5 t90 -172.59 158.35 4.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 74.54 109.655 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.609 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 11.4 p90 -123.82 111.89 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.322 0.582 . . . . 73.22 110.949 -177.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -79.21 87.72 4.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.935 0.874 . . . . 55.24 109.829 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.43 -14.32 49.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.014 -0.993 . . . . 41.33 111.68 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -57.34 -45.38 84.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.877 0.37 . . . . 75.24 110.058 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -93.98 -39.56 10.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.04 0.448 . . . . 71.51 109.825 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.39 29.3 4.54 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.639 -0.709 . . . . 45.52 111.49 -176.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -121.36 143.89 48.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.794 0.33 . . . . 74.12 110.423 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.609 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -113.23 146.57 18.47 Favored Glycine 0 N--CA 1.44 -1.074 0 C-N-CA 120.396 -0.907 . . . . 43.32 111.253 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.38 133.35 53.75 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.01 0.433 . . . . 73.52 109.906 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.23 144.86 28.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.379 -0.828 . . . . 60.34 109.134 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 29.0 tt0 -100.39 127.09 46.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.231 0.539 . . . . 64.44 111.264 -172.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.61 ' NH2' ' HB3' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -125.04 161.31 27.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.364 -0.835 . . . . 74.33 109.259 176.578 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.531 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 26.1 tt0 -62.42 -45.33 93.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.089 0.471 . . . . 71.52 109.826 174.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.07 -21.79 60.71 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.72 -0.673 . . . . 43.02 111.804 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.63 119.91 0.75 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.326 -0.94 . . . . 31.4 112.392 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.526 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 15.5 p-10 -98.88 55.47 1.03 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.558 0.695 . . . . 71.44 110.537 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -164.17 44.29 0.1 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.37 -0.832 . . . . 74.34 110.299 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.71 118.77 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.747 -0.661 . . . . 75.41 110.012 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -78.02 103.58 8.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.631 -0.713 . . . . 73.15 111.114 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 11.4 p -97.66 134.78 34.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.537 -0.542 . . . . 73.34 109.537 175.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -136.85 151.66 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.343 -0.39 . . . . 72.22 110.433 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -74.38 9.92 1.51 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.991 0.737 . . . . 71.33 112.991 -167.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 m -82.91 -7.84 59.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.116 0.484 . . . . 54.35 110.167 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -129.33 19.57 5.81 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.868 -0.606 . . . . 74.35 110.903 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 tp -80.57 151.59 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 63.54 109.998 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -84.22 -162.57 0.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.908 0.385 . . . . 62.11 111.098 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.76 -134.79 4.6 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.157 -0.545 . . . . 74.14 111.94 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 62.22 16.64 8.56 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.942 0.497 . . . . 64.13 111.656 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.22 -18.37 57.5 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.656 -0.783 . . . . 52.02 112.104 -178.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -81.38 78.9 8.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.333 0.587 . . . . 72.13 110.428 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 5.76 11.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.287 -0.869 . . . . 73.25 109.431 176.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.7 m -107.4 124.22 49.52 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.812 -1.085 . . . . 63.44 110.429 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.563 ' HA ' ' NE2' ' A' ' 45' ' ' GLN . 94.4 mt -107.32 127.18 53.33 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.936 -0.764 . . . . 73.14 108.936 173.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.484 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 38.3 t70 -124.4 144.16 50.2 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.084 0.468 . . . . 72.24 110.852 -174.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.34 124.21 20.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.326 -0.852 . . . . 71.31 111.183 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.35 -3.53 56.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.598 -0.81 . . . . 33.34 113.511 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.563 ' NE2' ' HA ' ' A' ' 41' ' ' LEU . 17.6 pt20 -90.79 155.75 18.56 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 117.773 0.787 . . . . 72.45 110.597 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.61 137.51 39.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.168 -0.469 . . . . 64.31 111.028 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.71 164.2 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 53.22 110.988 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.7 m -128.79 134.29 48.33 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.916 -0.772 . . . . 74.35 108.916 176.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.642 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 22.2 p90 -161.31 -175.63 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.496 -0.482 . . . . 74.11 111.42 -173.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -111.33 153.23 26.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.41 -0.814 . . . . 64.42 109.418 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.4 t -127.79 123.83 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.019 0.438 . . . . 72.33 111.025 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.89 113.56 25.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.695 -0.684 . . . . 52.04 109.503 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 42.6 mt-10 -80.13 126.02 30.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.08 -0.509 . . . . 74.35 110.314 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -88.79 -147.36 14.59 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.775 -0.726 . . . . 75.24 111.389 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -74.74 88.17 2.24 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.026 -0.731 . . . . 53.24 109.026 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 52.57 81.87 0.08 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.391 -0.822 . . . . 65.44 110.747 -171.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.68 101.06 0.16 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.804 -0.712 . . . . 44.33 112.171 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 3.9 Cg_exo -80.0 111.08 2.65 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.047 2.498 . . . . 75.24 111.832 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -112.04 150.69 30.29 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.52 -0.472 . . . . 72.33 110.34 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 28' ' ' VAL . . . -86.7 134.93 33.55 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.609 -0.723 . . . . 62.22 111.467 -177.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -135.2 145.6 47.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.289 -0.869 . . . . 73.51 108.941 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.93 83.91 0.12 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.525 -0.546 . . . . 71.34 109.525 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.551 ' HA ' ' HB3' ' A' ' 49' ' ' PHE . 47.7 t -100.13 124.8 53.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 120.468 -0.493 . . . . 62.51 111.076 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -122.08 150.01 42.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.749 -0.659 . . . . 74.42 109.601 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -84.82 136.52 33.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.762 0.315 . . . . 45.43 110.703 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.279 -0.867 . . . . 72.44 109.791 174.626 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 108.926 -0.768 . . . . 63.21 108.926 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.833 ' HG2' ' HB ' ' A' ' 51' ' ' VAL . 1.5 mp0 -102.26 88.85 3.4 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.306 -0.406 . . . . 75.43 111.183 -174.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -111.55 129.14 56.15 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.902 -0.407 . . . . 75.24 109.902 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 20' ' ' ARG . . . -152.74 176.94 30.71 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.578 -0.82 . . . . 71.14 112.247 -178.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.5 m -95.71 131.1 42.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.801 0.334 . . . . 75.14 110.474 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.2 t -68.88 110.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.084 -0.507 . . . . 75.3 110.489 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.62 -55.53 22.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.895 -0.593 . . . . 75.41 109.509 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.642 ' HD1' ' HB3' ' A' ' 43' ' ' GLU . 0.6 OUTLIER 176.99 168.0 0.54 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.263 -0.88 . . . . 72.12 109.087 173.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.657 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 4.7 p90 -123.41 96.42 4.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.504 0.669 . . . . 72.14 109.631 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.743 HD22 ' HB2' ' A' ' 13' ' ' LYS . 3.2 p-10 -68.57 84.06 0.28 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.521 0.677 . . . . 72.5 111.396 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.99 -22.56 65.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.375 -0.829 . . . . 70.53 111.665 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -58.05 -39.58 78.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.413 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.743 ' HB2' HD22 ' A' ' 10' ' ' ASN . 29.6 mtpp -101.42 -10.64 20.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.223 0.535 . . . . 73.11 110.041 176.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.25 43.54 20.43 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.539 -0.755 . . . . 71.13 112.58 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.644 ' HB2' HD21 ' A' ' 10' ' ' ASN . 55.9 m-85 -140.27 -178.73 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.217 -0.29 . . . . 73.05 110.217 -178.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.657 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -146.98 162.15 28.53 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.62 -0.8 . . . . 73.5 112.194 175.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -136.58 137.86 40.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.766 0.317 . . . . 74.45 110.745 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.8 mt -127.17 147.73 32.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.863 -0.608 . . . . 72.14 109.655 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -119.77 132.3 55.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 64.14 110.59 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.576 HH11 ' HG3' ' A' ' 2' ' ' GLU . 71.0 mtp180 -119.77 160.44 22.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.233 0.539 . . . . 73.33 111.113 177.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.18 -45.43 84.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.059 -0.973 . . . . 73.31 109.781 171.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -96.16 19.01 12.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.608 -0.724 . . . . 51.35 111.039 -176.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . 179.33 106.78 0.21 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 119.775 -1.203 . . . . 53.31 112.97 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -91.13 155.5 18.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.085 -0.339 . . . . 73.52 110.085 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 t70 63.45 72.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 124.034 0.834 . . . . 73.31 111.508 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -107.29 118.53 55.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.721 -0.672 . . . . 63.42 109.622 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' A' ' 59' ' ' GLN . 28.6 t80 -84.23 140.86 31.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.201 -0.454 . . . . 65.21 110.286 -175.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.0 t -120.26 132.54 69.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.055 0.455 . . . . 71.04 111.422 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -111.16 145.72 38.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 74.11 109.904 173.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.538 ' O ' HG22 ' A' ' 33' ' ' ILE . 82.4 m-85 -71.53 -10.11 59.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.381 0.61 . . . . 74.32 110.072 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m -75.73 -4.65 41.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.487 -0.779 . . . . 55.13 110.919 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -121.67 -3.05 9.29 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.78 0.324 . . . . 41.35 111.871 -178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 30' ' ' PHE . 11.0 tp -86.62 148.92 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.674 -0.491 . . . . 60.44 109.674 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -95.07 156.69 16.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.427 -0.351 . . . . 72.23 110.268 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.495 ' HA2' ' HB3' ' A' ' 39' ' ' LYS . . . -108.56 -141.3 9.5 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.72 -0.752 . . . . 72.45 111.267 176.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 4.6 m-20 73.46 -47.41 0.66 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.544 0.738 . . . . 74.41 111.706 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.37 -82.99 0.18 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.035 -0.602 . . . . 53.12 112.1 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -93.52 92.04 7.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.69 0.281 . . . . 74.14 110.892 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' HB3' ' HA2' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -103.44 -7.67 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.038 -0.528 . . . . 74.41 110.551 177.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -115.11 136.37 53.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.805 -0.634 . . . . 74.42 109.709 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 HG11 ' A' ' 47' ' ' VAL . 92.6 mt -106.88 129.48 54.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.45 -0.341 . . . . 55.31 110.505 -177.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.585 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 16.0 m-20 -85.36 137.44 32.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.269 0.557 . . . . 71.45 110.986 -177.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.642 ' HB3' ' HD1' ' A' ' 8' ' ' TRP . 6.5 pt-20 -60.67 126.99 29.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.367 -0.833 . . . . 70.42 111.442 -179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.51 -10.48 66.94 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.833 -0.698 . . . . 54.5 113.333 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.585 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 14.3 pt20 -86.75 157.37 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.508 0.654 . . . . 71.23 110.266 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -96.21 141.87 29.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.494 -0.321 . . . . 73.15 110.504 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.46 HG11 HD22 ' A' ' 41' ' ' LEU . 23.6 m -134.55 155.96 39.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.311 -0.404 . . . . 52.13 110.247 176.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 m -107.78 134.72 50.34 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.549 -0.538 . . . . 71.04 109.549 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.505 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 42.9 p90 -150.47 177.78 9.68 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.871 0.367 . . . . 75.22 111.058 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -106.02 140.51 38.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.54 -0.754 . . . . 75.42 110.005 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.833 ' HB ' ' HG2' ' A' ' 2' ' ' GLU . 10.6 p -81.69 133.1 29.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.176 0.513 . . . . 63.45 111.549 -176.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -132.89 138.86 47.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.872 -0.604 . . . . 70.14 109.484 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -85.35 125.29 32.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.847 0.356 . . . . 74.21 110.112 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.82 -148.41 19.15 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.789 -0.641 . . . . 61.43 112.765 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -64.74 -67.75 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.935 0.398 . . . . 73.03 111.753 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -121.72 13.62 10.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.311 -0.404 . . . . 74.5 111.025 -177.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.67 169.93 42.73 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.468 -0.873 . . . . 33.12 112.307 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.95 132.7 13.1 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.745 2.296 . . . . 75.43 112.134 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' A' ' 27' ' ' PHE . 13.9 pt20 -119.02 162.31 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.107 -0.497 . . . . 63.24 110.866 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.07 120.48 31.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.684 -0.689 . . . . 61.22 111.101 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -117.79 138.28 52.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.666 -0.494 . . . . 65.44 109.666 175.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 59.86 88.57 0.07 Allowed 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.875 -0.417 . . . . 65.44 109.875 -174.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.0 t -100.91 111.85 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 50.43 111.224 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -97.41 142.91 28.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.466 -0.788 . . . . 72.11 109.954 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -75.63 133.83 40.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.157 0.503 . . . . 61.51 111.236 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.776 -1.107 . . . . 52.14 108.811 174.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 108.902 -0.777 . . . . 64.51 108.902 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.478 ' HG3' ' NE ' ' A' ' 20' ' ' ARG . 3.4 mm-40 -111.47 153.59 25.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.3 -0.409 . . . . 73.04 111.025 -168.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.37 116.77 32.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.003 -1.11 . . . . 61.25 108.003 170.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.41 177.38 23.86 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.318 -0.944 . . . . 51.22 112.492 -175.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 35.9 m -110.99 137.41 48.65 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.672 0.272 . . . . 53.33 110.395 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.41 106.57 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.488 -0.56 . . . . 62.15 109.488 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HG3' ' CE3' ' A' ' 8' ' ' TRP . 4.9 tppp? -64.38 -50.63 66.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.921 -0.581 . . . . 75.43 110.349 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.426 ' CE3' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -158.79 173.94 15.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 71.51 110.782 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.663 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 5.2 p90 -142.31 93.67 2.56 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.923 -0.769 . . . . 75.52 108.923 174.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.691 HD21 ' HB2' ' A' ' 15' ' ' PHE . 5.8 p-10 -71.81 83.85 0.92 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.498 0.666 . . . . 75.34 111.438 -172.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.84 -16.79 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.638 -0.71 . . . . 74.31 110.282 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -54.35 -40.63 68.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.891 -1.049 . . . . 65.24 109.842 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -123.21 -1.42 8.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.432 -0.349 . . . . 52.31 111.414 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.54 57.33 3.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.068 -0.587 . . . . 44.5 113.197 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.691 ' HB2' HD21 ' A' ' 10' ' ' ASN . 92.2 m-85 -147.7 -178.74 6.42 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.526 -0.546 . . . . 74.11 109.526 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.663 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -138.04 167.12 25.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.45 -0.881 . . . . 62.14 112.384 174.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.494 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 59.7 m-85 -134.96 135.24 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.66 0.23 . . . . 75.0 110.521 177.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.512 HG13 ' CG2' ' A' ' 28' ' ' VAL . 72.0 mt -120.2 146.99 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.792 -0.448 . . . . 61.41 109.792 174.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 11.5 pt-20 -101.8 139.15 37.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.026 0.441 . . . . 65.13 111.006 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.478 ' NE ' ' HG3' ' A' ' 2' ' ' GLU . 60.7 mtp180 -126.36 160.3 30.81 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.437 -0.579 . . . . 65.23 109.437 174.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.33 -20.65 64.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.941 0.4 . . . . 74.24 110.776 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -103.79 19.59 19.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 64.24 110.157 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.86 120.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.991 -0.623 . . . . 51.33 111.81 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.587 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 10.9 p-10 -99.41 56.63 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.603 0.716 . . . . 71.43 111.245 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -149.93 80.52 1.38 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.534 -0.757 . . . . 72.53 109.911 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 60.6 t -118.95 123.27 71.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.642 -0.708 . . . . 74.31 110.226 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -76.09 116.3 16.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.09 0.471 . . . . 71.41 111.42 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.513 ' HB ' ' HA3' ' A' ' 16' ' ' GLY . 47.9 t -86.11 128.17 39.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.019 -0.537 . . . . 73.02 110.069 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -102.77 140.0 37.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.638 -0.71 . . . . 62.15 109.755 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -74.1 -16.57 61.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.59 -0.277 . . . . 74.52 111.644 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.2 t -76.2 -9.21 58.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.414 0.626 . . . . 63.42 109.79 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HB1' ' H ' ' A' ' 62' ' ' ASN . . . -113.29 20.18 16.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.67 -0.696 . . . . 73.42 110.279 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 tp -59.21 152.75 4.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.576 -0.738 . . . . 72.33 111.062 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 6.0 pt20 -59.14 167.39 1.74 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.314 0.578 . . . . 74.51 111.684 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.45 174.37 8.0 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.458 -0.792 . . . . 31.41 112.614 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.0 147.88 6.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.453 0.645 . . . . 64.21 112.26 -175.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.86 -51.05 0.87 Allowed Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.233 -0.894 . . . . 74.05 111.13 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -147.68 113.89 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.324 -0.251 . . . . 71.44 110.324 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' H ' ' HD3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -96.11 10.6 37.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.497 0.665 . . . . 73.02 109.922 176.241 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m -121.46 148.96 43.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.232 -0.895 . . . . 72.3 109.586 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.9 mt -107.54 173.81 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.74 0.305 . . . . 71.02 110.739 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.494 ' N ' HE21 ' A' ' 45' ' ' GLN . 12.9 m-20 -146.77 136.57 23.19 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.11 -0.496 . . . . 62.53 110.15 -173.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.05 112.17 2.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.905 -0.588 . . . . 71.23 110.413 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.09 6.51 36.77 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.399 -0.905 . . . . 71.21 113.904 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.494 HE21 ' N ' ' A' ' 42' ' ' ASP . 27.8 pt20 -101.91 136.42 41.77 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.557 1.178 . . . . 73.13 110.754 174.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -87.67 150.1 23.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.696 -0.684 . . . . 62.22 112.304 -172.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -147.48 174.84 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.391 -0.822 . . . . 72.22 110.257 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.2 m -124.12 133.21 53.65 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.896 -1.15 . . . . 64.41 107.896 170.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE1' HG21 ' A' ' 18' ' ' ILE . 28.2 p90 -149.24 165.29 32.33 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.437 -0.505 . . . . 74.34 111.477 -169.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -99.51 138.77 36.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.851 -0.613 . . . . 73.42 109.386 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.16 115.56 48.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.371 0.605 . . . . 74.14 110.401 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -114.83 122.83 47.56 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.986 -0.552 . . . . 71.04 110.142 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.608 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 45.0 mt-10 -65.88 113.59 4.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 73.51 110.228 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -99.5 -148.31 22.82 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.737 -0.744 . . . . 65.21 113.345 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.449 ' H ' ' CD ' ' A' ' 55' ' ' GLN . 0.9 OUTLIER -47.4 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.798 0.839 . . . . 74.44 112.445 -175.325 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -114.24 -12.13 12.51 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.0 -0.28 . . . . 62.12 111.333 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.39 159.21 27.97 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.405 -0.903 . . . . 71.13 112.002 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.608 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 41.9 Cg_endo -69.32 132.65 24.49 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.411 2.074 . . . . 75.11 111.253 176.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -113.37 145.3 41.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.057 0.456 . . . . 74.1 110.768 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.13 115.58 24.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.459 -0.792 . . . . 75.32 110.411 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.07 138.71 52.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.839 -0.619 . . . . 73.4 109.4 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.402 ' H ' ' HB1' ' A' ' 32' ' ' ALA . 55.7 m-20 56.87 88.6 0.05 Allowed 'General case' 0 CA--C 1.513 -0.477 0 O-C-N 123.484 0.49 . . . . 73.51 109.915 -171.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 34' ' ' GLN . 58.8 t -104.34 106.83 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 C-N-CA 120.364 -0.534 . . . . 71.42 110.076 177.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -93.91 140.14 30.05 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.499 -0.556 . . . . 72.32 109.499 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -78.66 131.22 36.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.989 0.423 . . . . 74.13 111.414 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.795 -0.622 . . . . 74.54 109.673 176.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 121.187 0.517 . . . . 74.32 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.494 ' OE1' HG12 ' A' ' 51' ' ' VAL . 4.0 mp0 -97.2 133.6 41.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.884 -0.598 . . . . 73.01 109.437 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 29.9 tt0 -100.37 124.74 46.24 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.547 -0.461 . . . . 72.33 109.813 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.57 168.61 23.8 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 121.009 -0.615 . . . . 44.41 111.758 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.2 m -95.89 129.09 43.24 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.86 0.362 . . . . 44.43 110.737 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.405 ' HA ' HG12 ' A' ' 18' ' ' ILE . 58.9 t -64.05 111.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.003 -0.544 . . . . 72.55 109.738 176.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HE2' ' HB3' ' A' ' 19' ' ' GLU . 11.3 tppt? -67.18 -56.84 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.34 -0.615 . . . . 65.53 109.34 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.575 ' HA ' ' HB3' ' A' ' 43' ' ' GLU . 30.3 t90 -178.28 141.06 0.23 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.888 -1.051 . . . . 61.22 109.224 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.468 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 7.1 p90 -83.29 94.24 7.88 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.425 -0.583 . . . . 72.54 109.425 176.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.56 87.24 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.543 0.687 . . . . 72.11 111.774 -175.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.64 -18.97 65.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.293 -0.867 . . . . 74.21 110.206 176.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.72 -41.17 70.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.245 -0.889 . . . . 72.24 109.738 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -94.57 -30.69 14.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.369 -0.832 . . . . 72.21 109.708 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.62 25.56 8.08 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.79 -0.641 . . . . 63.51 112.48 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -143.59 -168.81 2.93 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.113 -0.329 . . . . 62.41 110.113 -174.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -112.9 155.37 16.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.748 -0.739 . . . . 62.21 111.707 177.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.776 ' CZ ' ' HA ' ' A' ' 25' ' ' ASP . 39.8 t80 -131.16 133.17 45.3 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.468 -0.567 . . . . 72.51 109.468 178.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.426 ' HA ' ' H ' ' A' ' 7' ' ' LYS . 54.3 mt -135.85 148.44 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.598 -0.273 . . . . 74.03 110.459 -175.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 10.0 pt-20 -101.53 128.26 47.85 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.402 0.62 . . . . 74.12 110.743 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HD3' ' HB3' ' A' ' 2' ' ' GLU . 3.9 tpm_? -118.44 159.35 23.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.588 -0.733 . . . . 72.01 109.027 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.73 -33.23 74.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.116 0.484 . . . . 45.32 111.006 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -15.56 59.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.927 -0.579 . . . . 65.45 110.263 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.77 128.29 0.96 Allowed Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.176 -0.77 . . . . 61.33 111.176 -176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.587 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 6.8 p-10 -96.6 56.87 1.56 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.612 0.72 . . . . 62.33 110.936 -177.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.776 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 4.8 p-10 -150.21 39.33 0.75 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.039 -0.982 . . . . 75.55 110.114 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -86.84 119.41 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.594 -0.73 . . . . 72.15 110.56 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -88.56 122.86 32.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 75.11 110.815 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.3 t -92.05 127.74 44.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.538 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -90.19 147.46 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.251 -0.431 . . . . 62.41 110.243 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.44 ' O ' HG22 ' A' ' 33' ' ' ILE . 55.9 t80 -71.23 -19.45 62.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.23 0.538 . . . . 74.35 110.252 -175.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -80.32 -16.52 54.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.1 -0.5 . . . . 73.3 110.578 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.418 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -100.21 -16.96 17.58 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.012 0.375 . . . . 73.15 112.012 -174.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 30' ' ' PHE . 10.1 tp -73.51 145.27 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 110.01 -0.366 . . . . 64.0 110.01 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.603 ' OE1' ' HA ' ' A' ' 64' ' ' GLN . 8.8 pt20 -94.25 152.73 18.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.72 0.295 . . . . 72.44 110.538 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.64 89.02 0.84 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.408 -0.901 . . . . 61.34 111.243 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -83.22 -16.74 45.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.723 0.773 . . . . 73.1 110.109 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.02 -39.12 1.21 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 109.677 -1.369 . . . . 73.12 109.677 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -123.09 151.89 41.6 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.17 -1.048 . . . . 74.33 108.17 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -86.85 26.27 1.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.244 0.545 . . . . 73.11 111.663 -175.721 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.7 m -152.56 158.43 42.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.531 -0.544 . . . . 61.01 109.531 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.49 HD13 HG11 ' A' ' 47' ' ' VAL . 97.4 mt -107.71 173.74 6.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.716 0.293 . . . . 65.41 110.719 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.77 123.11 35.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 70.51 109.989 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.575 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -67.95 118.28 10.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.263 0.554 . . . . 63.23 110.246 178.114 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.12 -7.55 23.24 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.771 -0.65 . . . . 62.3 112.737 -176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -96.39 159.09 15.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.16 0.48 . . . . 75.14 110.294 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -97.55 136.04 38.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.591 0.234 . . . . 73.32 110.612 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.49 HG11 HD13 ' A' ' 41' ' ' LEU . 31.2 m -136.52 164.88 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.419 -0.355 . . . . 70.03 110.323 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.507 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 6.8 m -108.02 145.57 33.76 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.342 -0.614 . . . . 74.42 109.342 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.635 ' HE2' ' HB ' ' A' ' 51' ' ' VAL . 44.8 p90 -160.73 171.17 19.33 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.615 0.245 . . . . 73.24 110.771 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -108.26 109.53 20.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.199 -0.455 . . . . 71.41 109.845 170.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.635 ' HB ' ' HE2' ' A' ' 49' ' ' PHE . 7.3 p -84.57 113.13 22.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.543 0.687 . . . . 54.01 111.085 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -111.64 131.4 55.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.861 -0.609 . . . . 74.01 110.255 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 37.0 mt-10 -80.39 112.0 17.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.736 -0.468 . . . . 73.13 109.736 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.22 -148.48 21.73 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.608 -0.724 . . . . 62.44 113.478 -171.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -58.13 -37.16 74.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.431 -0.385 . . . . 73.22 111.63 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -122.51 -63.05 1.31 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.36 -0.382 . . . . 72.42 111.208 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.0 175.41 17.24 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.265 -0.969 . . . . 63.33 113.088 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.542 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 17.8 Cg_exo -66.99 128.58 18.96 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.462 2.775 . . . . 75.51 112.306 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -126.17 144.34 50.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.814 -0.63 . . . . 71.41 110.619 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.74 118.14 24.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.846 -0.616 . . . . 41.23 111.135 -176.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.418 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -120.79 147.97 44.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.795 -0.638 . . . . 64.44 109.478 175.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 10.9 m-80 59.52 89.26 0.06 Allowed 'General case' 0 C--O 1.238 0.478 0 O-C-N 123.41 0.444 . . . . 74.13 110.16 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.0 t -103.14 136.29 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 64.11 110.993 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.603 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 25.2 tt0 -127.02 130.31 49.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.72 -0.673 . . . . 74.14 109.85 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -70.9 138.16 49.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.308 . . . . 64.43 110.407 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.546 -0.74 . . . . 61.33 110.227 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 tpp . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 109.709 -0.478 . . . . 74.45 109.709 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.739 ' HG3' HG23 ' A' ' 51' ' ' VAL . 2.4 mm-40 -115.3 176.94 4.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.394 -172.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -146.39 148.46 32.36 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.928 -0.768 . . . . 71.51 108.928 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.98 169.68 38.98 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.27 -0.967 . . . . 72.51 112.703 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 4.7 m -102.03 130.33 48.56 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.294 -0.261 . . . . 61.33 110.294 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.2 111.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.552 -0.536 . . . . 61.34 109.552 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -85.05 -41.67 15.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.296 -0.411 . . . . 54.23 111.116 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -149.99 149.21 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.977 -0.289 . . . . 65.02 110.349 -173.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -131.96 93.89 3.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.916 0.388 . . . . 74.33 110.564 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.965 HD21 ' HB2' ' A' ' 15' ' ' PHE . 1.7 p-10 -81.39 82.39 7.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.949 0.881 . . . . 71.1 110.468 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.14 -27.26 67.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 71.34 112.184 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -4.37 48.84 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.843 -0.343 . . . . 73.52 111.636 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -124.36 -5.78 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 44.25 110.651 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.82 49.59 13.36 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.992 -0.549 . . . . 44.32 113.905 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.965 ' HB2' HD21 ' A' ' 10' ' ' ASN . 66.1 m-85 -144.84 148.19 33.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.182 -0.303 . . . . 72.21 110.182 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -112.48 139.67 15.79 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.326 -0.94 . . . . 43.43 111.114 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 25' ' ' ASP . 71.3 t80 -112.13 133.14 54.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.005 0.431 . . . . 75.52 110.108 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.458 HG21 ' CE1' ' A' ' 49' ' ' PHE . 57.7 mt -126.44 144.36 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.922 -0.581 . . . . 72.44 110.788 -175.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.596 ' HG3' ' CB ' ' A' ' 24' ' ' ASP . 34.1 tt0 -111.47 130.52 55.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.702 -0.681 . . . . 75.41 110.336 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -118.61 166.78 12.31 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.088 -0.338 . . . . 70.12 110.088 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.67 -36.89 84.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.349 0.595 . . . . 63.01 110.588 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -102.71 20.48 17.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.782 -0.644 . . . . 62.14 110.741 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.35 104.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.356 -0.926 . . . . 72.24 112.618 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.596 ' CB ' ' HG3' ' A' ' 19' ' ' GLU . 11.6 p-10 -91.67 57.77 3.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.427 0.632 . . . . 62.2 110.804 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 37.9 t70 -161.93 78.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 71.02 109.717 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 46.7 t -130.19 139.62 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 71.41 109.908 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 59' ' ' GLN . 98.1 m-85 -114.92 123.28 48.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.888 0.375 . . . . 74.05 110.954 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.637 HG11 HD12 ' A' ' 41' ' ' LEU . 11.6 p -97.09 137.37 24.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.918 0.39 . . . . 70.33 110.606 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.407 ' HD2' ' HB2' ' A' ' 59' ' ' GLN . 78.7 m-70 -107.77 148.52 29.38 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.276 -0.875 . . . . 73.14 109.687 177.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 98.3 m-85 -70.75 -11.33 60.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.945 0.402 . . . . 74.04 110.891 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 m -67.93 -14.07 62.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.041 -0.527 . . . . 64.45 111.384 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB1' ' H ' ' A' ' 62' ' ' ASN . . . -136.37 23.2 3.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 61.12 111.17 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.665 HD11 ' HG ' ' A' ' 41' ' ' LEU . 10.2 tp -81.02 151.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.6 . . . . 74.14 111.769 -173.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.413 ' HG3' ' H ' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -77.55 -176.46 4.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.754 -0.657 . . . . 73.34 110.972 176.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . -147.51 -142.48 3.69 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.733 -0.746 . . . . 72.21 112.517 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 69.03 89.4 0.1 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.594 0.712 . . . . 72.43 111.15 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.9 -77.66 2.04 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.326 -0.852 . . . . 75.32 111.586 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -106.22 101.74 11.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.197 0.522 . . . . 74.12 110.408 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -85.35 -3.39 58.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.542 -0.754 . . . . 73.43 110.08 179.608 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 p -103.23 163.64 12.12 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.565 -0.743 . . . . 55.43 109.662 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.665 ' HG ' HD11 ' A' ' 33' ' ' ILE . 55.8 mt -107.02 128.99 54.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.878 0.37 . . . . 72.31 110.355 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 37.3 t70 -99.45 126.84 45.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.754 -0.657 . . . . 71.53 109.762 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -57.84 123.14 14.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.883 -0.599 . . . . 63.03 110.955 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.88 -15.1 11.26 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.912 -0.661 . . . . 60.43 113.034 -176.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.431 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 23.9 pt20 -100.71 149.93 23.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 117.659 0.729 . . . . 62.12 110.699 177.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -94.33 144.95 25.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.296 -0.411 . . . . 70.05 110.787 177.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.7 m -140.55 159.57 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 71.31 110.934 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 m -99.77 144.94 28.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.945 -0.761 . . . . 71.34 108.945 176.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.467 ' HA ' ' O ' ' A' ' 62' ' ' ASN . 48.0 p90 -169.99 153.58 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.754 0.312 . . . . 72.31 110.282 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -97.16 141.96 29.66 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.266 -0.574 . . . . 74.44 109.677 174.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.739 HG23 ' HG3' ' A' ' 2' ' ' GLU . 77.3 t -87.52 114.14 25.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.114 0.483 . . . . 64.35 111.001 -177.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -96.02 115.53 27.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.484 -0.78 . . . . 72.32 109.676 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.52 108.99 4.03 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.338 -0.616 . . . . 72.51 109.338 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.75 -148.12 18.45 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.953 -0.642 . . . . 72.33 112.169 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -78.57 -25.85 45.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.83 0.348 . . . . 74.44 111.097 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -144.17 -64.79 0.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 74.11 111.409 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.86 155.88 22.2 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.493 -0.861 . . . . 55.33 112.552 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.32 116.69 4.4 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 123.003 2.469 . . . . 75.03 110.932 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 27' ' ' PHE . 14.0 pt20 -106.88 151.29 25.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.939 0.4 . . . . 73.31 111.086 -176.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB3' HG23 ' A' ' 28' ' ' VAL . . . -80.99 118.7 22.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.927 -0.579 . . . . 71.12 111.127 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.66 139.62 51.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.495 -0.775 . . . . 74.12 109.192 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 27.7 m-80 56.66 85.52 0.08 Allowed 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.015 0.436 . . . . 75.12 109.997 -173.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -98.95 126.65 52.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.65 -0.704 . . . . 74.12 110.283 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -121.0 142.92 49.34 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.249 -0.648 . . . . 74.11 109.249 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -66.71 132.65 48.57 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.236 -0.283 . . . . 64.43 110.236 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.803 -0.617 . . . . 25.42 110.272 -179.531 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.995 0.426 . . . . 75.04 110.46 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.05 17.05 14.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.503 0.668 . . . . 72.33 109.467 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.574 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 35.1 tt0 -98.77 153.76 18.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.089 -0.96 . . . . 72.11 110.171 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.98 -178.98 29.8 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.888 -0.672 . . . . 64.13 111.87 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.8 m -106.5 130.37 54.3 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.556 0.217 . . . . 62.12 110.502 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.82 116.83 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.582 -0.281 . . . . 73.1 110.54 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -79.99 -62.35 1.71 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.686 -0.487 . . . . 73.04 109.686 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.503 ' HD1' ' H ' ' A' ' 9' ' ' PHE . 4.2 t90 176.42 151.19 0.15 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.349 -0.611 . . . . 72.2 109.349 -177.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.824 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 9.3 m-85 -88.72 87.64 7.32 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.609 -0.886 . . . . 72.44 108.609 168.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.87 98.59 0.07 Allowed 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 122.052 0.93 . . . . 54.42 110.953 -160.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.22 -10.65 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 113.458 -1.701 . . . . 64.21 114.329 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -54.52 -37.6 65.57 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.975 -0.75 . . . . 73.13 108.975 167.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -116.11 -30.43 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.316 -0.857 . . . . 70.41 109.968 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.9 60.37 1.78 Allowed Glycine 0 C--N 1.332 0.338 0 N-CA-C 111.032 -0.827 . . . . 72.3 111.032 -173.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 33.5 m-85 -164.49 146.71 8.64 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 121.134 -0.226 . . . . 73.55 110.645 -164.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.824 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -89.98 141.49 16.04 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 119.398 -1.382 . . . . 64.51 114.27 -162.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 34.3 m-85 -122.01 134.54 54.8 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-N 114.897 -0.652 . . . . 75.23 109.653 170.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.552 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 52.4 mt -116.14 142.68 28.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-N 115.336 -0.847 . . . . 72.41 110.176 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.732 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 40.7 tt0 -101.7 124.86 48.05 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.434 -0.803 . . . . 63.52 110.643 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.669 ' HD3' ' CZ ' ' A' ' 49' ' ' PHE . 15.0 mtm180 -134.39 -171.86 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.808 -0.633 . . . . 73.11 109.697 176.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.61 -24.53 63.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.934 0.397 . . . . 65.54 110.769 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -85.3 -6.38 59.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 72.12 110.812 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.84 177.81 16.71 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.739 . . . . 62.11 112.208 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.732 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 8.5 p-10 -98.98 58.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.641 0.734 . . . . 71.34 110.369 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.4 28.15 4.69 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.659 -0.7 . . . . 61.45 111.303 -177.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.552 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 60.7 t -85.55 112.08 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.442 -0.503 . . . . 64.0 110.203 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -76.76 107.32 8.99 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.037 -0.529 . . . . 53.43 111.612 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.441 HG21 HG13 ' A' ' 18' ' ' ILE . 38.8 t -94.41 125.49 47.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.201 -0.454 . . . . 73.2 111.027 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -99.39 164.59 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.667 -0.697 . . . . 75.25 110.181 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.55 ' HA ' HD13 ' A' ' 33' ' ' ILE . 22.0 p90 -66.38 -18.81 65.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.089 -0.505 . . . . 74.21 112.079 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.5 p -77.09 -11.29 59.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.036 0.446 . . . . 40.43 111.156 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.602 ' O ' HG12 ' A' ' 63' ' ' VAL . . . -82.79 -37.68 24.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.239 -0.437 . . . . 74.13 111.331 -178.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.55 HD13 ' HA ' ' A' ' 30' ' ' PHE . 2.1 mp -49.98 128.39 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 123.895 0.747 . . . . 53.34 112.213 -172.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.601 ' NE2' HG13 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -83.09 159.38 22.12 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.894 -0.594 . . . . 75.4 110.143 -179.237 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.96 87.62 1.37 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.448 -0.882 . . . . 43.45 112.699 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -113.52 -77.24 0.58 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.854 -0.795 . . . . 73.52 108.854 171.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.83 23.55 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 114.631 -1.168 . . . . 73.41 110.314 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' A' ' 40' ' ' SER . 55.6 m-85 -128.52 105.46 8.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.538 -0.331 . . . . 70.23 110.237 -174.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.523 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -82.21 -17.84 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.634 0.731 . . . . 74.14 109.089 174.711 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 38' ' ' PHE . 18.4 m -119.0 154.24 33.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.942 -1.026 . . . . 75.3 108.428 172.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.54 ' HB2' ' HE1' ' A' ' 9' ' ' PHE . 81.0 mt -106.62 147.41 29.53 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.647 -0.421 . . . . 73.12 110.726 -176.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.502 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 31.6 t70 -83.79 122.66 28.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.681 . . . . 65.34 110.58 -177.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG3' ' H ' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -63.69 129.71 41.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.532 0.682 . . . . 74.33 111.163 -178.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.28 -7.86 44.03 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.563 -0.827 . . . . 73.31 112.723 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 25.4 pt20 -89.8 150.98 22.02 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 117.405 0.603 . . . . 50.11 110.562 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.25 135.85 35.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.004 -0.544 . . . . 71.15 110.301 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.405 ' HB ' ' CG2' ' A' ' 63' ' ' VAL . 20.6 m -139.97 148.06 23.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.322 -0.399 . . . . 65.02 110.456 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.588 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 4.8 m -98.17 152.87 18.91 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.599 -0.889 . . . . 51.31 108.599 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CZ ' ' HD3' ' A' ' 20' ' ' ARG . 51.5 p90 -159.75 163.8 34.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 118.683 0.674 . . . . 75.4 111.466 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -93.58 108.81 20.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.775 -0.648 . . . . 63.5 109.65 173.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.573 ' HB ' ' HE1' ' A' ' 49' ' ' PHE . 7.4 p -88.65 128.55 40.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.927 -0.579 . . . . 74.44 110.932 -177.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -132.16 136.23 46.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.53 . . . . 73.5 110.146 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -108.49 109.89 21.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 74.44 110.387 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.13 -147.63 9.33 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.637 -0.985 . . . . 64.35 110.637 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -89.41 13.29 14.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.745 0.783 . . . . 73.42 109.78 176.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -117.66 -162.26 0.86 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.716 -1.129 . . . . 62.33 108.691 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.481 ' O ' ' HG3' ' A' ' 59' ' ' GLN . . . -67.77 167.44 41.66 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.693 -0.765 . . . . 74.03 112.5 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.1 121.32 8.75 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.001 2.468 . . . . 75.11 111.594 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 63.0 mt-30 -112.91 142.84 45.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.077 0.465 . . . . 73.55 111.301 -172.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.28 120.34 39.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.434 -0.803 . . . . 63.41 110.541 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.06 136.91 55.01 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.566 -0.531 . . . . 55.45 109.566 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.442 ' H ' ' HA ' ' A' ' 32' ' ' ALA . 19.1 m-80 62.48 98.78 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.588 0.555 . . . . 74.12 110.618 -176.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 32' ' ' ALA . 7.4 p -105.65 116.9 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.905 0.859 . . . . 43.22 111.191 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.588 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 21.5 tt0 -86.94 147.74 25.63 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.598 -1.183 . . . . 72.43 110.068 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -83.15 148.61 27.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.478 -0.328 . . . . 73.52 110.231 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.409 -0.805 . . . . 72.32 110.306 -179.144 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 1' ' ' MET . 19.9 ptt? . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.484 0.659 . . . . 75.54 110.207 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.471 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 28.4 mm-40 -103.88 124.5 49.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.088 0.471 . . . . 72.34 110.964 -175.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.507 ' NE2' ' HB1' ' A' ' 46' ' ' ALA . 17.8 tm0? -99.0 134.47 41.78 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.663 -0.699 . . . . 75.31 109.23 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.55 156.12 26.81 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.3 -0.952 . . . . 45.44 112.413 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m -111.64 121.72 45.89 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.113 -0.329 . . . . 70.33 110.113 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.08 114.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.126 -0.324 . . . . 64.02 110.126 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.604 ' HE3' ' HB2' ' A' ' 19' ' ' GLU . 40.2 ttmt -88.32 -52.71 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.4 -0.364 . . . . 74.34 111.017 -176.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -163.4 174.4 11.99 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.882 -0.414 . . . . 75.51 109.882 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -129.5 94.39 3.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.627 0.727 . . . . 74.42 109.919 176.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.47 93.1 0.47 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.443 0.64 . . . . 75.41 111.074 -177.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.31 -25.33 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.236 -0.893 . . . . 75.44 111.684 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.35 -42.72 74.22 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.341 0.591 . . . . 70.4 110.289 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -97.09 -19.86 18.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.653 -0.703 . . . . 65.31 110.262 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.72 42.66 12.94 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.612 -0.722 . . . . 71.24 113.129 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -148.1 170.9 16.79 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.935 -0.395 . . . . 72.13 109.935 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 27' ' ' PHE . . . -98.52 140.74 15.19 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.641 -0.79 . . . . 61.1 111.314 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.496 ' CE1' ' HA ' ' A' ' 25' ' ' ASP . 69.5 t80 -112.63 132.46 55.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.211 0.529 . . . . 73.23 110.767 -177.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.511 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 78.6 mt -127.29 139.93 50.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-N 115.431 -0.804 . . . . 53.23 110.676 -175.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.864 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 40.3 tt0 -104.36 146.58 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.695 -0.684 . . . . 75.12 110.601 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.441 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 27.4 mtp180 -135.71 179.75 6.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 73.12 110.796 175.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' OE1' ' HB3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.92 -30.51 58.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.612 -0.722 . . . . 74.13 110.712 179.159 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.32 5.75 22.19 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.425 -0.352 . . . . 63.52 111.125 178.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.22 168.38 12.42 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.962 -0.637 . . . . 52.25 111.81 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.864 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 12.7 p-10 -124.17 108.78 12.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.369 0.604 . . . . 71.22 111.071 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.496 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 30.2 t70 -170.07 26.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.299 -0.864 . . . . 72.35 108.776 176.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 41.9 t -89.13 115.94 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 115.608 -0.724 . . . . 62.24 110.102 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 57.1 m-85 -100.05 123.15 43.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.073 0.463 . . . . 70.45 111.096 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.5 p -94.82 138.56 20.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.896 -0.593 . . . . 73.51 110.046 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -98.73 154.2 18.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 72.13 109.973 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -67.48 -38.24 84.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.901 0.381 . . . . 72.32 111.024 -175.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -77.2 -2.84 36.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 41.35 111.218 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.629 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -95.49 -5.29 43.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.146 0.498 . . . . 74.32 110.565 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.4 mt -88.22 149.62 4.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.573 -0.739 . . . . 73.51 109.571 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.6 pm0 -79.09 9.54 4.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.799 0.333 . . . . 45.31 111.745 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.67 173.39 16.05 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.877 -0.678 . . . . 61.34 112.393 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -115.38 -63.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.273 -0.64 . . . . 74.11 109.273 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.81 -33.36 75.3 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 110.977 -0.849 . . . . 71.14 110.977 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -91.33 87.97 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.906 -0.405 . . . . 63.4 109.906 173.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -112.69 11.01 19.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.553 0.692 . . . . 74.02 109.741 178.034 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 p -117.18 146.49 43.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.329 -0.851 . . . . 73.51 110.243 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.442 ' HB3' HE21 ' A' ' 45' ' ' GLN . 96.6 mt -117.16 152.19 35.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.284 -0.416 . . . . 71.53 110.19 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.528 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 28.7 t70 -84.86 129.53 34.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.216 -0.447 . . . . 62.55 110.935 -178.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.73 119.96 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 75.24 111.087 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.04 -7.21 37.69 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.782 -0.723 . . . . 44.34 113.08 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.598 ' OE1' ' HE2' ' A' ' 65' ' ' LYS . 24.1 pt20 -86.92 153.16 21.82 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 117.348 0.574 . . . . 74.02 110.665 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HB1' ' NE2' ' A' ' 3' ' ' GLN . . . -95.79 139.4 32.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.744 -0.662 . . . . 74.54 110.253 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.79 165.07 32.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.041 0.448 . . . . 73.0 110.819 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -124.74 135.12 52.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.978 -0.749 . . . . 72.43 108.978 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -146.09 170.05 17.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.861 0.362 . . . . 72.02 111.167 -175.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -103.19 109.92 21.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.82 -0.627 . . . . 73.42 109.44 174.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.471 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 8.9 p -73.76 134.7 29.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.357 0.598 . . . . 53.14 111.253 -173.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -122.41 150.88 41.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.438 -0.801 . . . . 73.34 109.109 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -79.92 129.06 34.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.926 0.393 . . . . 71.52 110.435 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.23 179.24 36.25 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.955 -0.858 . . . . 63.4 110.955 175.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -72.49 -37.23 68.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.958 0.379 . . . . 74.24 111.351 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.8 mtm-85 -132.57 10.81 4.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.55 -0.46 . . . . 72.31 111.73 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.01 160.45 26.79 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.99 -1.1 . . . . 31.12 112.582 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -71.15 127.74 13.88 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.083 2.522 . . . . 52.43 111.962 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -111.38 138.48 47.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.059 0.457 . . . . 74.24 110.851 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.27 114.6 23.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.771 -0.65 . . . . 32.55 110.175 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.629 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -120.28 154.96 34.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.803 -0.635 . . . . 64.32 109.621 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 51.66 76.4 0.17 Allowed 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.462 0.476 . . . . 74.24 110.625 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.34 138.26 20.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.832 -0.622 . . . . 73.45 110.7 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -135.2 145.64 47.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.102 -0.499 . . . . 53.54 109.671 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.598 ' HE2' ' OE1' ' A' ' 45' ' ' GLN . 26.5 tptp -66.45 126.22 28.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.051 -0.352 . . . . 75.01 110.051 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.495 -0.764 . . . . 52.34 110.853 -178.537 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.606 ' N ' ' HA ' ' A' ' 50' ' ' ASP . 67.3 mtt . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.819 0.342 . . . . 72.04 110.511 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -100.02 -158.94 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.207 -0.664 . . . . 73.12 109.207 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -133.36 138.03 46.13 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.675 -0.491 . . . . 73.34 109.675 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.85 -169.23 16.43 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.778 -0.725 . . . . 73.41 112.132 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.6 m -125.7 138.37 53.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.814 0.34 . . . . 62.11 110.847 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.97 122.4 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.473 -0.566 . . . . 53.44 109.473 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -93.91 -46.01 7.37 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.945 -0.302 . . . . 73.43 111.447 -175.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.43 ' CZ3' ' HB3' ' A' ' 10' ' ' ASN . 9.0 t90 -167.5 167.07 13.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.779 -0.452 . . . . 72.35 109.779 -177.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.474 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 20.4 p90 -157.04 110.33 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.396 0.617 . . . . 74.11 111.217 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.781 HD21 ' HB2' ' A' ' 15' ' ' PHE . 3.7 p-10 -80.86 80.67 7.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.781 0.801 . . . . 71.4 110.37 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.34 -24.86 65.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.942 -1.026 . . . . 71.53 112.103 -175.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -34.92 74.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.47 -0.332 . . . . 65.44 111.153 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HB2' HD22 ' A' ' 10' ' ' ASN . 58.0 mttp -112.78 -2.93 14.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 75.3 111.277 -178.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.451 ' HA2' ' HE2' ' A' ' 30' ' ' PHE . . . 79.18 46.41 8.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.985 -0.626 . . . . 45.21 113.281 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.781 ' HB2' HD21 ' A' ' 10' ' ' ASN . 72.5 m-85 -145.83 177.96 8.53 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.819 -0.437 . . . . 75.44 109.819 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 9' ' ' PHE . . . -174.26 -175.96 42.27 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.846 -0.692 . . . . 51.14 111.995 174.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.54 134.63 45.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.858 0.361 . . . . 75.41 110.464 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.3 mt -131.29 146.66 33.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.128 -0.693 . . . . 64.13 109.128 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.611 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 9.6 pt-20 -100.83 127.81 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.367 0.603 . . . . 73.12 112.052 -174.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -98.95 156.73 16.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.802 -1.185 . . . . 74.04 107.802 167.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.86 -8.54 53.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.117 0.414 . . . . 63.12 112.117 -174.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -112.43 -1.25 15.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.908 0.385 . . . . 75.12 110.584 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.67 104.69 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.954 -0.641 . . . . 73.15 111.926 -176.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.611 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.6 p-10 -93.95 58.3 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.468 0.651 . . . . 72.32 111.569 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -161.44 44.8 0.17 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.523 0.678 . . . . 74.3 110.843 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.2 t -86.98 131.38 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 64.24 110.078 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -82.97 115.33 21.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.241 -0.436 . . . . 54.22 110.415 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.696 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 10.3 p -101.97 145.7 11.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.187 0.518 . . . . 75.12 110.726 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 0.5 OUTLIER -129.94 155.22 46.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.482 -0.781 . . . . 65.3 109.052 177.151 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' HA ' HG12 ' A' ' 33' ' ' ILE . 73.3 m-85 -67.32 -15.88 63.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.509 0.559 . . . . 72.34 112.509 -170.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.422 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.7 m -69.63 -18.78 63.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.809 0.338 . . . . 62.32 110.979 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -91.04 -11.19 39.53 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.142 0.496 . . . . 53.42 110.715 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.584 HG12 ' HA ' ' A' ' 30' ' ' PHE . 45.5 mm -74.04 138.55 20.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.598 -0.728 . . . . 44.44 109.666 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -69.03 149.02 49.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.235 -0.439 . . . . 73.34 110.593 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 36' ' ' ASP . . . -91.41 170.98 34.58 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.842 -0.903 . . . . 60.43 110.842 173.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 8.9 t70 72.49 115.01 0.05 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.395 0.617 . . . . 74.53 111.168 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.78 -111.76 3.32 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.914 -0.66 . . . . 45.24 112.595 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -82.02 88.67 6.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.867 0.365 . . . . 62.01 110.927 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 17.95 10.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.751 0.786 . . . . 62.44 110.414 177.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.0 m -148.53 139.4 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.184 -0.916 . . . . 44.33 109.065 173.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.2 mt -107.87 136.6 47.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.796 0.331 . . . . 61.24 111.341 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 15.6 m-20 -84.25 122.76 29.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.644 . . . . 63.15 110.068 175.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.99 136.69 58.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.205 0.526 . . . . 74.44 110.255 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.97 -24.3 19.31 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.736 -0.745 . . . . 74.24 112.505 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 28.5 pt20 -85.23 150.13 25.01 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 117.514 0.657 . . . . 65.03 110.645 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.17 140.14 30.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.693 -0.685 . . . . 65.43 110.533 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.49 HG12 ' HD2' ' A' ' 65' ' ' LYS . 18.3 m -142.66 149.01 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.814 -0.63 . . . . 73.04 110.798 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.0 m -74.97 134.63 41.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.598 -1.26 . . . . 62.51 107.598 169.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.767 ' CZ ' ' HB1' ' A' ' 60' ' ' ALA . 5.3 t80 -148.0 144.34 27.88 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.807 -0.757 . . . . 75.34 111.808 -164.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.606 ' HA ' ' N ' ' A' ' 1' ' ' MET . 23.9 t0 -105.34 167.27 9.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 53.14 110.387 178.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.9 p -142.6 136.52 27.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.276 0.56 . . . . 73.43 111.038 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.7 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 51.4 mm-40 -111.1 152.83 26.51 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.523 -0.762 . . . . 74.53 109.452 175.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.3 119.58 22.55 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.059 0.457 . . . . 74.35 110.326 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' A' ' 57' ' ' GLY . . . -96.07 170.73 27.79 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.793 -0.718 . . . . 75.12 112.9 -175.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -70.93 -39.77 72.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.239 0.542 . . . . 75.42 110.441 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -104.94 -52.28 2.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.702 -0.681 . . . . 53.21 110.094 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.461 ' O ' ' HA3' ' A' ' 54' ' ' GLY . . . -143.37 172.85 24.61 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.448 -0.796 . . . . 44.23 111.142 178.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -57.07 125.94 20.59 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.693 2.262 . . . . 74.21 112.171 -179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.7 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 9.7 pt20 -96.39 134.39 39.6 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.459 -0.571 . . . . 75.44 109.459 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.767 ' HB1' ' CZ ' ' A' ' 49' ' ' PHE . . . -76.52 145.72 38.93 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.896 -0.593 . . . . 70.02 111.666 -175.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.461 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -152.8 153.72 33.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.309 -0.405 . . . . 70.24 111.072 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 54.34 93.53 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.752 0.821 . . . . 72.43 112.755 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.647 HG22 ' HE1' ' A' ' 49' ' ' PHE . 62.1 t -83.29 129.72 37.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.803 -0.635 . . . . 75.34 110.068 170.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -136.38 125.45 24.44 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.917 -0.771 . . . . 63.1 108.917 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HD2' HG12 ' A' ' 47' ' ' VAL . 25.2 tptp -70.9 130.95 42.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.364 0.602 . . . . 74.11 111.912 -174.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.796 0 CA-C-N 115.035 -0.984 . . . . 63.32 109.345 172.702 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 109.473 -0.566 . . . . 62.44 109.473 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.46 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 76.0 mm-40 -117.61 146.79 43.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.155 0.502 . . . . 72.12 111.419 -173.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -139.93 118.34 12.15 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.647 -0.872 . . . . 74.21 108.647 172.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.59 -169.75 19.63 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.118 -1.039 . . . . 64.23 112.788 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 m -104.78 133.32 49.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.682 0.277 . . . . 74.02 110.482 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.29 111.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.014 -0.365 . . . . 73.31 110.014 178.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -78.61 -64.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.067 -0.515 . . . . 74.03 110.583 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -176.24 142.82 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.642 -0.708 . . . . 71.53 109.393 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.667 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 31.9 p90 -138.64 123.25 18.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.076 0.465 . . . . 70.13 110.709 -178.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.542 HD22 ' HB2' ' A' ' 13' ' ' LYS . 1.2 p-10 -70.63 86.14 0.65 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.535 0.683 . . . . 51.43 110.6 176.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.74 -20.58 65.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.312 -0.858 . . . . 73.41 111.213 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.19 -33.15 67.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.007 -0.542 . . . . 75.2 110.204 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HB2' HD22 ' A' ' 10' ' ' ASN . 14.2 mmmm -103.48 -19.84 14.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 71.21 110.34 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.73 21.07 32.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.999 -0.619 . . . . 73.53 112.327 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -138.17 174.25 10.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.416 -0.587 . . . . 75.5 109.416 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.667 ' HA3' ' HA ' ' A' ' 9' ' ' PHE . . . 174.33 -166.62 38.66 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.38 -0.914 . . . . 74.2 112.542 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 95.9 m-85 -125.32 134.94 52.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.409 0.624 . . . . 74.0 111.372 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 61.9 mt -109.68 147.97 13.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.29 -0.868 . . . . 73.42 108.67 171.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -100.31 130.79 46.47 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.318 -0.623 . . . . 73.44 109.318 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.464 ' HB2' ' H ' ' A' ' 23' ' ' GLY . 72.5 mtp180 -84.14 170.38 13.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.838 0.351 . . . . 70.25 110.524 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.92 -46.64 62.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.174 -0.466 . . . . 72.34 109.918 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -93.64 -21.97 19.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.531 . . . . 72.41 111.27 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.464 ' H ' ' HB2' ' A' ' 20' ' ' ARG . . . -145.98 -149.42 4.99 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.409 -0.9 . . . . 74.13 113.129 -175.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -145.38 -177.64 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.993 -0.373 . . . . 65.01 109.993 -177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 63.75 85.39 0.13 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.753 0.821 . . . . 74.45 112.919 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.546 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 91.1 t -123.51 116.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.846 -0.615 . . . . 75.42 109.564 168.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -71.02 104.4 2.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.177 0.513 . . . . 71.1 110.655 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 p -95.0 144.83 9.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.835 -0.432 . . . . 71.33 109.835 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -138.35 138.83 38.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.466 -0.568 . . . . 75.31 109.466 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.514 ' HA ' HD13 ' A' ' 33' ' ' ILE . 42.0 p90 -51.57 -31.65 25.38 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.166 0.802 . . . . 72.44 113.166 -170.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 p -70.38 -13.3 62.08 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.357 0.503 . . . . 51.51 112.357 -175.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.84 -7.24 52.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.86 0.362 . . . . 53.41 111.342 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 30' ' ' PHE . 2.5 mp -90.27 134.66 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.097 0.475 . . . . 74.11 110.628 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -126.87 152.37 47.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.702 -0.681 . . . . 42.43 109.379 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.63 -164.5 35.42 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.197 -1.001 . . . . 53.15 112.155 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -86.18 -5.99 59.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.02 0.438 . . . . 53.32 110.539 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.3 55.96 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.779 -0.929 . . . . 65.11 110.779 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -131.17 117.76 19.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.89 0.376 . . . . 73.44 111.491 -173.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -117.55 1.48 12.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.722 0.772 . . . . 72.3 108.926 167.171 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.2 t -138.96 146.2 40.68 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.53 -1.214 . . . . 50.22 109.411 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -107.68 158.55 17.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.111 0.482 . . . . 71.33 110.767 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.453 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 11.2 m-20 -91.85 121.35 33.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.042 -0.526 . . . . 72.03 110.033 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.65 131.0 43.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.092 -0.504 . . . . 74.21 110.237 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.71 -10.75 56.11 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.631 -0.795 . . . . 65.33 112.649 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 18.9 pt20 -88.84 156.59 18.85 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 117.227 0.514 . . . . 72.3 110.175 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -98.88 129.72 45.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.013 -0.54 . . . . 70.3 109.857 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.28 162.19 40.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.036 0.446 . . . . 74.13 110.873 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.2 m -116.92 148.52 41.28 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.628 -0.878 . . . . 73.55 108.628 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.522 ' CE1' HG11 ' A' ' 26' ' ' VAL . 22.9 p90 -162.92 160.55 25.0 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.24 0.543 . . . . 70.22 111.123 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -87.06 148.05 25.43 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.493 -0.928 . . . . 71.2 108.493 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.0 p -102.63 130.9 51.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.379 0.609 . . . . 75.3 111.918 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.528 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 23.5 mm-40 -104.0 140.16 38.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.342 -0.845 . . . . 65.14 109.857 173.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.02 148.29 46.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.782 0.325 . . . . 63.44 110.448 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 57' ' ' GLY . . . -132.28 157.2 22.39 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.779 -0.724 . . . . 32.15 111.45 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -86.21 4.81 37.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.118 0.485 . . . . 72.05 110.752 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -137.52 -52.39 0.65 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.391 -0.822 . . . . 75.05 109.159 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.413 ' O ' ' HA3' ' A' ' 54' ' ' GLY . . . -150.44 162.82 29.41 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.043 -0.823 . . . . 50.15 111.043 176.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.1 143.63 44.94 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.599 2.199 . . . . 72.31 112.365 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.528 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 24.6 pt20 -115.11 160.43 19.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.966 0.413 . . . . 63.34 110.615 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.5 129.56 36.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.769 -0.651 . . . . 72.34 111.143 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.36 136.61 39.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.702 -0.481 . . . . 55.43 109.702 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 61.48 88.35 0.09 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.157 0.503 . . . . 65.22 110.18 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -91.87 113.61 27.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.144 0.497 . . . . 74.33 111.16 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -92.95 125.09 37.37 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.047 -0.723 . . . . 73.23 109.047 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -69.98 120.29 15.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.135 0.493 . . . . 74.53 111.283 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.245 0.862 0 CA-C-N 115.592 -0.731 . . . . 70.14 109.135 174.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 109.302 -0.629 . . . . 74.23 109.302 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.74 ' HB3' HH11 ' A' ' 20' ' ' ARG . 5.7 mm-40 -116.69 176.03 5.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.217 -0.447 . . . . 73.51 110.735 -168.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -139.22 146.28 40.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.253 -0.647 . . . . 75.3 109.253 174.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.55 162.27 29.86 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.445 -0.883 . . . . 52.11 112.453 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 30.4 m -101.43 125.33 48.05 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 110.317 -0.253 . . . . 70.43 110.317 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.33 111.83 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.23 -0.656 . . . . 61.32 109.23 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HD2' ' HB2' ' A' ' 19' ' ' GLU . 82.1 tttt -88.07 -55.98 3.52 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.012 -0.275 . . . . 70.3 111.113 -172.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -158.95 138.64 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.0 -0.28 . . . . 71.25 110.821 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 65.4 t80 -98.65 99.9 11.07 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.726 -0.472 . . . . 71.21 109.726 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.971 HD22 ' HB2' ' A' ' 13' ' ' LYS . 4.8 p-10 -71.81 82.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.962 0.887 . . . . 74.14 110.519 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.74 -26.56 68.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.759 -1.11 . . . . 62.12 112.32 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -72.64 -11.35 60.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.184 0.516 . . . . 72.13 110.914 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.971 ' HB2' HD22 ' A' ' 10' ' ' ASN . 30.7 mmmt -113.55 -21.23 10.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.037 -0.529 . . . . 74.33 110.091 173.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.5 26.73 24.48 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.83 -0.623 . . . . 63.24 112.548 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.756 ' HB2' HD21 ' A' ' 10' ' ' ASN . 96.4 m-85 -135.07 -178.22 5.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.552 -0.381 . . . . 74.32 109.998 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -140.4 154.22 23.97 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.738 -0.744 . . . . 63.14 111.6 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -111.5 134.36 53.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.995 0.426 . . . . 64.24 110.305 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 30.8 mt -114.59 136.13 52.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 CA-C-N 115.567 -0.742 . . . . 63.23 109.746 175.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.777 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 36.7 tt0 -103.31 123.39 46.7 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.25 -0.887 . . . . 73.13 110.074 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.74 HH11 ' HB3' ' A' ' 2' ' ' GLU . 11.8 ttp180 -122.66 176.3 6.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.896 -0.779 . . . . 74.21 108.896 176.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' H ' ' HG2' ' A' ' 20' ' ' ARG . 10.5 mm-40 -67.65 -7.26 25.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.017 0.436 . . . . 75.33 111.189 -178.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.03 12.61 25.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 71.42 110.779 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.95 155.7 9.16 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.62 -0.8 . . . . 33.41 112.85 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.777 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 18.7 p-10 -98.6 57.62 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.659 0.743 . . . . 71.22 110.103 177.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -122.51 15.51 10.37 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.563 -0.744 . . . . 73.4 110.45 -173.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.549 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 49.1 t -87.08 120.49 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.352 -0.385 . . . . 75.15 110.9 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -88.38 144.89 26.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 55.42 111.244 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 m -138.81 149.09 23.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 116.022 -0.535 . . . . 75.53 111.146 173.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -145.68 178.49 8.11 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.639 -0.874 . . . . 64.2 108.639 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' O ' HG22 ' A' ' 33' ' ' ILE . 94.4 m-85 -63.8 -10.02 17.87 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.658 0.614 . . . . 71.1 112.658 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 m -69.53 -19.18 63.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.146 0.498 . . . . 71.33 110.647 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -102.8 -25.07 13.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.96 -0.564 . . . . 54.21 112.021 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.508 ' HA ' HG21 ' A' ' 63' ' ' VAL . 11.4 tp -63.07 148.48 11.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 123.545 0.528 . . . . 53.52 111.972 -170.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.519 HE21 ' HB2' ' A' ' 38' ' ' PHE . 13.6 pt20 -80.25 -178.65 6.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.466 -0.788 . . . . 71.13 109.975 176.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -135.23 -155.08 7.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.563 -0.827 . . . . 64.1 111.692 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 71.87 -56.4 0.64 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.308 0.643 . . . . 74.41 111.928 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.69 -51.92 0.3 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.747 -0.739 . . . . 54.15 113.235 -176.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.519 ' HB2' HE21 ' A' ' 34' ' ' GLN . 98.2 m-85 -119.09 117.16 27.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.508 -0.407 . . . . 70.22 110.934 -176.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -94.76 0.65 55.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.367 0.603 . . . . 73.45 110.007 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.7 m -151.16 157.56 42.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 62.32 109.71 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.481 ' HB3' HE21 ' A' ' 45' ' ' GLN . 98.7 mt -113.98 165.0 13.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.011 0.434 . . . . 74.1 111.175 -175.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.583 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 0.9 OUTLIER -84.11 126.71 33.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.402 -0.817 . . . . 51.33 111.037 179.838 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.72 114.71 7.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.201 -0.666 . . . . 62.04 109.201 174.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.28 -1.34 26.69 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.5 -0.857 . . . . 72.33 112.868 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.583 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 15.8 pt20 -102.37 152.84 20.63 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 117.423 0.612 . . . . 73.23 110.023 177.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -93.66 134.37 36.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.049 -0.523 . . . . 75.44 110.033 177.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.468 HG21 HD13 ' A' ' 41' ' ' LEU . 1.3 m -140.75 154.85 21.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.989 0.423 . . . . 73.05 110.696 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 25.1 m -86.31 137.72 32.38 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.96 -0.563 . . . . 62.22 109.886 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.642 ' CZ ' HG22 ' A' ' 63' ' ' VAL . 8.5 m-85 -141.61 147.13 37.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 64.2 111.294 -175.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.66 103.45 15.14 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.166 -0.679 . . . . 74.43 109.166 170.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.612 HG12 ' HG3' ' A' ' 2' ' ' GLU . 11.0 p -95.8 141.37 15.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.048 0.452 . . . . 64.53 111.941 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -134.15 142.79 47.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.756 -0.656 . . . . 60.52 109.869 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 2.0 mp0 -85.46 118.65 25.12 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.243 -0.435 . . . . 70.34 110.758 -176.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.75 164.89 23.06 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.691 -0.766 . . . . 74.24 111.285 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -78.03 63.74 3.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.349 . . . . 74.54 111.098 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 171.73 -26.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.523 -0.762 . . . . 71.14 109.352 -177.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.49 151.85 7.35 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.08 -0.808 . . . . 73.53 111.08 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.513 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 57.2 Cg_endo -73.7 120.37 6.39 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.313 2.009 . . . . 64.03 112.064 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -112.64 144.0 42.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.06 0.457 . . . . 70.03 109.832 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 51' ' ' VAL . . . -96.95 132.6 42.57 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.118 -0.492 . . . . 30.12 110.126 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.526 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . . . -122.54 169.01 11.44 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.258 -0.645 . . . . 71.22 109.258 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 58.84 94.44 0.03 OUTLIER 'General case' 0 C--O 1.242 0.66 0 CA-C-O 120.816 0.341 . . . . 74.2 110.965 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.642 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 61.9 t -82.99 134.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.815 -0.63 . . . . 71.24 111.084 176.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.612 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 60.7 tt0 -133.94 125.17 27.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.805 -0.813 . . . . 65.24 108.805 171.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -61.85 131.31 49.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.157 0.503 . . . . 72.01 111.385 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.245 0.835 0 CA-C-N 115.461 -0.79 . . . . 53.23 109.366 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 tpp . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.978 0.418 . . . . 61.03 110.16 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -113.04 159.23 19.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.896 -0.593 . . . . 62.34 110.13 -176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? -131.33 125.73 33.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.073 -0.714 . . . . 73.51 109.073 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . -162.8 -153.11 7.06 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.116 -1.04 . . . . 34.14 112.937 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.0 m -132.66 142.59 49.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.644 -0.278 . . . . 74.21 110.287 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 41' ' ' LEU . 46.8 t -71.17 124.37 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.826 -0.435 . . . . 71.25 109.826 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -95.89 -42.26 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.075 -0.25 . . . . 63.02 111.559 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -160.28 159.38 31.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.833 -0.432 . . . . 75.0 109.833 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.464 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 6.4 p90 -141.87 110.96 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.402 0.62 . . . . 75.33 110.262 177.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.514 HD21 ' HB2' ' A' ' 15' ' ' PHE . 7.5 p-10 -81.48 81.98 7.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 122.37 1.081 . . . . 74.0 110.058 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.81 -16.72 64.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.692 -1.14 . . . . 53.22 111.089 -177.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.85 -31.31 64.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.727 -0.67 . . . . 52.4 111.067 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -125.64 0.44 7.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.496 -0.32 . . . . 73.34 111.372 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.499 ' HA2' ' HE2' ' A' ' 30' ' ' PHE . . . 81.71 42.71 8.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.639 -0.791 . . . . 43.52 113.078 174.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.514 ' HB2' HD21 ' A' ' 10' ' ' ASN . 94.2 m-85 -137.09 -173.68 3.52 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.452 -0.573 . . . . 61.14 109.452 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 9' ' ' PHE . . . -172.07 176.14 45.19 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.665 -0.778 . . . . 44.35 111.888 173.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -121.63 133.0 54.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.672 -0.492 . . . . 75.02 109.672 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.9 mt -112.57 143.93 21.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.876 -0.602 . . . . 72.04 109.533 177.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.71 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 37.2 tt0 -101.25 117.33 34.76 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.917 -0.583 . . . . 50.02 110.031 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 24.2 ptt180 -107.05 -174.86 2.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.547 -0.908 . . . . 73.54 108.547 175.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.87 -45.4 78.2 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.944 -0.303 . . . . 65.25 111.11 -177.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -96.8 18.59 14.15 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.536 0.569 . . . . 71.22 112.536 -175.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.488 ' O ' ' HG2' ' A' ' 20' ' ' ARG . . . 165.95 137.88 2.3 Favored Glycine 0 C--O 1.227 -0.319 0 C-N-CA 119.449 -1.358 . . . . 70.3 113.691 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.71 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.4 p-10 -115.24 58.08 0.72 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.564 0.697 . . . . 64.31 110.032 178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -152.48 30.35 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.339 -0.846 . . . . 43.22 109.381 -175.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.76 120.06 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.829 -0.623 . . . . 62.1 110.681 -176.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -73.9 111.81 9.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.029 -0.532 . . . . 73.04 111.094 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 p -98.79 138.92 21.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.21 0.528 . . . . 72.21 110.313 176.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -125.98 149.91 48.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.419 -0.809 . . . . 72.21 109.307 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.668 ' HA ' HG12 ' A' ' 33' ' ' ILE . 65.2 m-85 -64.94 -14.67 60.7 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.112 0.412 . . . . 61.02 112.112 -175.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 m -70.58 -3.51 18.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.984 0.421 . . . . 62.22 111.01 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.71 11.13 16.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 60.13 110.985 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.668 HG12 ' HA ' ' A' ' 30' ' ' PHE . 50.9 mm -87.77 134.23 28.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.551 -0.295 . . . . 71.21 110.538 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -80.64 -176.0 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 72.23 110.452 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.98 89.73 0.88 Allowed Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.404 -0.903 . . . . 71.5 111.67 175.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -121.38 156.77 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.1 -0.704 . . . . 55.23 109.1 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.78 -27.48 73.32 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.683 -0.77 . . . . 40.1 111.52 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -117.83 99.58 7.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.758 -0.83 . . . . 75.02 108.758 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.18 -0.03 43.14 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.189 0.518 . . . . 71.31 111.274 -171.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.532 ' HA ' ' HE1' ' A' ' 30' ' ' PHE . 37.8 m -104.05 157.61 16.99 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.085 -0.709 . . . . 63.14 109.085 173.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.584 ' HB3' HG21 ' A' ' 6' ' ' VAL . 84.9 mt -107.45 128.92 54.92 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.769 -0.372 . . . . 63.43 110.538 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -101.11 144.2 30.29 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.321 0.582 . . . . 70.55 110.804 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.04 122.86 17.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.284 -0.871 . . . . 74.25 110.123 -176.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.29 -21.64 10.71 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.297 -0.954 . . . . 61.5 113.109 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.437 ' NE2' ' HA ' ' A' ' 41' ' ' LEU . 26.0 pt20 -81.27 138.21 35.76 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.573 -0.851 . . . . 61.12 110.304 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.89 134.26 33.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.774 -0.648 . . . . 74.04 110.79 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.9 m -138.61 148.23 24.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.372 0.606 . . . . 64.41 111.523 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.3 m -108.32 132.55 53.6 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.688 -1.227 . . . . 74.2 107.688 170.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -148.89 154.01 38.84 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.871 -0.418 . . . . 74.21 109.871 -171.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.617 ' HB2' HD21 ' A' ' 62' ' ' ASN . 33.7 t0 -87.06 160.22 18.67 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 119.271 -0.971 . . . . 55.33 109.665 176.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -120.21 124.08 71.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.437 0.637 . . . . 61.42 111.119 -175.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.483 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 42.7 mt-10 -95.09 124.39 39.1 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.738 -0.838 . . . . 71.43 108.738 174.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.98 128.12 35.64 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.758 -0.46 . . . . 74.2 109.758 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.53 153.47 38.89 Favored Glycine 0 N--CA 1.439 -1.108 0 C-N-CA 120.579 -0.819 . . . . 63.42 113.304 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -73.93 -20.75 60.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.737 -0.838 . . . . 63.35 108.737 171.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.0 mtp85 -150.93 -54.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.312 -1.313 . . . . 73.0 108.493 175.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.402 ' HA2' ' HD3' ' A' ' 58' ' ' PRO . . . -116.56 144.28 18.37 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.117 -0.947 . . . . 63.41 111.048 173.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.402 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 13.7 Cg_exo -69.34 137.99 38.06 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 123.16 2.573 . . . . 63.42 112.287 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.483 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 14.1 pt20 -119.73 152.36 37.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.269 -0.423 . . . . 64.22 110.395 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.46 142.51 27.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 52.41 111.894 -175.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB2' ' HG3' ' A' ' 52' ' ' GLU . . . -122.7 152.77 40.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.415 -0.812 . . . . 54.31 108.934 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.617 HD21 ' HB2' ' A' ' 50' ' ' ASP . 0.3 OUTLIER 23.24 101.59 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.283 1.216 . . . . 65.53 114.283 -173.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.9 t -97.12 110.41 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.584 -1.189 . . . . 71.44 110.887 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -100.91 154.15 18.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.375 -0.83 . . . . 64.44 109.56 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -81.22 130.34 34.99 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.813 -0.44 . . . . 74.34 109.813 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.613 -0.708 . . . . 64.41 110.444 -178.022 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HA ' ' OD1' ' A' ' 50' ' ' ASP . 26.3 ptt? . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.666 0.269 . . . . 62.33 110.288 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.596 ' HG3' ' H ' ' A' ' 3' ' ' GLN . 4.5 tp10 -145.25 175.26 10.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.145 -0.48 . . . . 71.44 110.042 -174.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.596 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 23.5 tm0? -146.21 140.46 26.59 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 107.834 -1.173 . . . . 61.33 107.834 172.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.54 -153.6 8.12 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 119.461 -1.352 . . . . 71.1 113.397 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.3 m -142.53 145.73 33.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.565 -0.317 . . . . 74.32 110.202 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.89 114.38 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.73 -0.47 . . . . 44.32 109.73 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -74.15 -49.26 24.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.031 0.443 . . . . 74.35 110.175 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -166.69 171.48 11.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.846 -0.615 . . . . 61.4 109.356 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -140.35 101.57 4.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.514 0.674 . . . . 61.43 110.896 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.712 HD21 ' HB2' ' A' ' 15' ' ' PHE . 4.8 p-10 -77.74 82.78 4.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.721 0.772 . . . . 62.31 110.871 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.04 -19.02 63.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.3 -0.864 . . . . 73.44 111.568 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -54.34 -41.13 68.72 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.873 -0.603 . . . . 63.01 110.641 174.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.574 ' HB2' HD22 ' A' ' 10' ' ' ASN . 26.7 mmtp -106.33 -10.64 16.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.641 -0.709 . . . . 65.54 110.623 -177.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.49 36.97 18.7 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.844 -0.693 . . . . 73.43 111.744 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.712 ' HB2' HD21 ' A' ' 10' ' ' ASN . 77.8 m-85 -138.37 -174.93 3.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.566 -0.531 . . . . 73.04 109.566 -178.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.9 174.36 39.23 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 110.968 -0.853 . . . . 64.22 110.968 173.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -117.66 133.71 55.65 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.084 -0.339 . . . . 62.04 110.084 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -116.73 138.25 47.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.905 -0.589 . . . . 74.51 109.543 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.632 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 8.9 pt-20 -108.93 125.09 51.65 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.372 0.606 . . . . 64.41 110.934 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.59 ' HD3' ' HE2' ' A' ' 49' ' ' PHE . 44.1 mtm180 -102.67 168.61 9.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.496 -0.774 . . . . 71.21 110.204 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -77.0 -11.1 59.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.54 0.686 . . . . 71.3 109.779 172.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -111.0 19.58 18.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.06 -0.973 . . . . 75.43 109.63 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.63 118.11 1.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.965 -0.636 . . . . 52.41 111.914 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.632 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 5.3 p-10 -89.75 56.23 3.45 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.634 0.731 . . . . 74.32 111.512 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -156.83 95.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 72.22 110.903 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.826 HG11 ' HZ ' ' A' ' 49' ' ' PHE . 59.7 t -139.54 137.24 40.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.498 . . . . 63.34 110.127 172.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -85.78 111.33 20.05 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.181 -0.303 . . . . 75.34 110.181 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 p -96.27 140.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.259 0.552 . . . . 74.4 110.478 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -129.27 154.08 47.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.331 -0.989 . . . . 64.11 108.331 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.616 ' HA ' HD13 ' A' ' 33' ' ' ILE . 32.9 p90 -67.51 5.14 0.84 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.538 0.57 . . . . 74.32 112.538 -174.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 p -80.34 -19.57 46.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.803 0.335 . . . . 73.52 111.098 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.64 0.46 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 54.14 111.881 -177.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.616 HD13 ' HA ' ' A' ' 30' ' ' PHE . 2.4 mp -95.58 140.55 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.35 -0.386 . . . . 35.02 110.026 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.491 HE22 ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -106.33 -170.65 1.76 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.395 -0.366 . . . . 72.1 110.456 -178.276 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.85 88.67 1.48 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.374 -0.917 . . . . 71.22 111.733 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -96.87 -20.78 17.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.561 0.696 . . . . 73.15 110.587 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.55 -39.92 2.3 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.828 -1.309 . . . . 70.11 109.828 -172.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -105.57 109.59 21.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.893 -0.78 . . . . 73.3 108.893 172.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 8.47 25.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.346 0.593 . . . . 74.31 110.606 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -120.04 162.75 18.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.326 -0.852 . . . . 64.15 109.123 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.88 147.74 29.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.75 0.31 . . . . 72.4 110.998 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.681 ' HB2' HE21 ' A' ' 45' ' ' GLN . 16.8 m-20 -111.02 132.45 54.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.955 -0.566 . . . . 63.04 110.102 178.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.36 113.31 6.57 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.237 0.541 . . . . 73.54 110.112 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.06 -4.96 28.75 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.328 -0.939 . . . . 43.42 113.534 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.681 HE21 ' HB2' ' A' ' 42' ' ' ASP . 6.9 pt20 -83.02 144.41 29.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.773 0.786 . . . . 71.02 110.34 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.6 142.87 27.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.985 -0.552 . . . . 73.32 110.78 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -145.2 153.94 14.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.25 -0.432 . . . . 64.2 111.192 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.8 m -85.91 133.72 33.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.225 -1.398 . . . . 71.41 107.225 167.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.826 ' HZ ' HG11 ' A' ' 26' ' ' VAL . 1.9 t80 -152.61 141.77 21.38 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.058 -0.657 . . . . 70.2 111.154 -165.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 26.8 t70 -110.03 146.25 35.65 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.429 -0.508 . . . . 75.42 109.696 174.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.22 129.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.904 0.383 . . . . 74.13 111.025 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -116.03 136.7 52.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.174 -0.466 . . . . 74.11 109.765 174.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.68 139.32 53.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.876 -0.602 . . . . 70.13 110.374 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -131.78 174.03 20.32 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.825 -0.703 . . . . 72.11 111.845 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -64.12 107.87 1.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.484 0.183 . . . . 62.35 110.881 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 56' ' ' ARG . 44.8 mtp180 65.16 20.83 12.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.885 -0.598 . . . . 74.22 111.797 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.16 129.52 1.06 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.597 -0.811 . . . . 74.33 112.38 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.24 143.62 35.79 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.746 2.298 . . . . 72.44 111.817 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -114.62 162.65 16.49 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.118 0.485 . . . . 62.13 110.752 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.559 ' HA ' ' HE1' ' A' ' 49' ' ' PHE . . . -73.77 135.33 43.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.27 -0.877 . . . . 45.13 111.692 -177.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 50' ' ' ASP . . . -134.25 114.97 13.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.831 -0.622 . . . . 65.15 109.833 175.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 64.39 91.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.025 0.44 . . . . 74.3 110.736 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.51 101.63 12.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.2 -0.667 . . . . 72.24 109.2 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.491 ' HA ' HE22 ' A' ' 34' ' ' GLN . 62.9 tt0 -103.49 135.15 45.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.149 -175.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -64.04 131.45 47.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.362 -0.381 . . . . 63.33 110.559 -177.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.573 -0.727 . . . . 71.12 110.211 178.804 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 109.274 -0.639 . . . . 54.42 109.274 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -88.88 90.48 8.43 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.567 -0.742 . . . . 71.33 111.509 -166.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -92.7 124.74 36.93 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.533 -0.914 . . . . 71.13 108.533 173.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.42 -157.96 13.48 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.087 -1.054 . . . . 73.04 112.691 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.3 m -117.96 138.81 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.661 0.267 . . . . 74.54 110.524 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.19 109.17 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.681 -0.488 . . . . 74.23 109.681 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -70.12 -58.31 3.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.174 -0.467 . . . . 73.33 110.124 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -166.94 140.32 3.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.014 -0.539 . . . . 74.11 109.985 -176.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.695 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 8.0 p90 -115.24 94.85 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.587 0.708 . . . . 55.14 110.108 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -68.68 89.76 0.39 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.682 -0.69 . . . . 54.44 111.707 -175.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.93 -14.32 62.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.617 -0.72 . . . . 65.3 110.445 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -55.4 -37.06 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.292 -0.867 . . . . 73.24 110.507 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -118.53 -11.79 9.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.732 -0.667 . . . . 73.22 110.643 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.26 43.58 6.2 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.876 -0.602 . . . . 60.33 112.439 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -139.41 -167.4 2.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.014 0.435 . . . . 74.43 110.633 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.695 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -162.81 160.15 32.56 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.288 -0.725 . . . . 72.04 111.288 176.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 94.0 m-85 -135.61 134.55 39.42 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.114 0.483 . . . . 73.14 110.868 178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.538 HG12 ' CG2' ' A' ' 28' ' ' VAL . 41.4 mm -109.05 146.37 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.43 -0.805 . . . . 52.21 109.716 177.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -102.35 127.21 49.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.47 -0.567 . . . . 74.15 109.47 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -123.67 175.33 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.362 0.601 . . . . 72.32 112.309 -171.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -69.64 -48.3 60.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.948 -1.024 . . . . 70.13 111.112 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -97.09 -21.23 17.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.844 -0.616 . . . . 72.52 111.181 -172.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.42 152.39 21.96 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.482 -0.866 . . . . 63.14 112.874 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -112.55 143.08 44.31 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.354 -0.239 . . . . 72.1 110.354 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 54.28 77.94 0.18 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.715 -0.675 . . . . 70.15 111.609 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 40.9 t -86.14 134.35 27.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.661 -0.7 . . . . 50.5 109.327 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -70.8 109.75 5.17 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.547 0.53 . . . . 71.12 111.708 -173.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.538 ' CG2' HG12 ' A' ' 18' ' ' ILE . 46.8 t -102.96 131.44 51.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.974 -0.38 . . . . 73.12 109.974 175.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.17 151.1 50.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.87 -0.605 . . . . 64.24 109.823 178.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.436 ' HZ ' ' HD3' ' A' ' 39' ' ' LYS . 13.7 t80 -60.91 -20.74 62.53 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.153 0.427 . . . . 72.21 112.153 -170.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -64.09 -20.33 65.88 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.946 0.403 . . . . 52.43 111.287 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.569 ' HB1' ' HA ' ' A' ' 61' ' ' ALA . . . -92.1 -10.47 38.87 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.903 0.382 . . . . 72.32 111.787 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.423 HG21 ' O ' ' A' ' 39' ' ' LYS . 26.8 mm -80.85 137.52 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.921 -0.582 . . . . 74.34 110.67 -174.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -111.64 -176.9 3.05 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.141 -0.689 . . . . 75.05 109.141 172.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.52 88.84 1.18 Allowed Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 119.927 -1.13 . . . . 55.33 111.81 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -112.67 79.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.105 -0.702 . . . . 55.1 109.105 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.93 -55.98 3.51 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.268 -0.733 . . . . 54.31 111.268 -171.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -133.48 168.62 18.29 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.299 -0.63 . . . . 53.34 109.299 176.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HD3' ' HZ ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -105.52 7.99 33.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.535 0.683 . . . . 63.21 109.719 173.313 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -111.08 138.34 47.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.086 -0.961 . . . . 70.32 109.017 174.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.4 mt -105.84 135.25 47.61 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.76 -0.459 . . . . 70.24 109.76 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 3.8 p-10 -96.19 125.59 40.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.604 0.716 . . . . 60.43 110.691 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.473 ' HG3' ' HE1' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -64.02 132.56 50.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.85 -0.614 . . . . 43.21 110.615 -178.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.59 -15.63 24.35 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.587 -0.733 . . . . 54.03 112.087 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 3.9 pt20 -84.39 152.01 24.33 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.856 0.36 . . . . 54.2 110.775 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.63 123.39 40.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.014 -0.539 . . . . 65.44 110.001 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.8 m -139.19 172.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.42 -0.354 . . . . 62.13 111.08 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.52 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 21.7 m -123.73 145.27 49.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.755 -0.657 . . . . 72.23 109.735 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.73 ' CE2' HG22 ' A' ' 63' ' ' VAL . 60.6 m-85 -135.61 150.2 49.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.176 0.512 . . . . 74.32 110.873 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -86.71 150.97 23.8 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.309 -0.997 . . . . 62.02 108.309 167.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p -107.58 134.64 48.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.251 0.548 . . . . 64.51 111.929 -170.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -123.33 123.57 41.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.471 -0.786 . . . . 73.23 109.915 173.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -90.36 114.62 26.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.011 0.434 . . . . 70.54 109.993 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -116.19 -171.15 16.05 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.84 -0.695 . . . . 73.33 113.032 -175.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -83.84 -18.5 37.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.884 0.374 . . . . 64.13 110.914 -176.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.775 ' HA ' ' HE ' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -91.56 -37.75 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.109 0.481 . . . . 73.4 109.977 177.408 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.5 -170.29 38.04 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.539 -0.755 . . . . 54.35 111.262 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -70.42 114.47 3.82 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.382 2.055 . . . . 74.14 111.903 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -95.97 136.96 35.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.452 . . . . 73.24 110.454 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' HB3' HG22 ' A' ' 28' ' ' VAL . . . -89.28 115.0 26.44 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.98 -0.748 . . . . 73.1 108.98 174.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.569 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -121.71 164.86 16.68 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.002 -0.544 . . . . 52.54 110.152 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 51.92 90.68 0.02 OUTLIER 'General case' 0 C--O 1.242 0.67 0 O-C-N 123.43 0.456 . . . . 61.04 111.171 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.73 HG22 ' CE2' ' A' ' 49' ' ' PHE . 44.1 t -75.53 113.18 14.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 70.13 111.289 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.52 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 36.4 tt0 -106.37 135.95 46.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.254 -0.647 . . . . 62.22 109.254 175.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.467 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 13.4 tptm -86.64 148.77 25.32 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 121.044 -0.262 . . . . 72.22 110.495 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.667 -0.682 . . . . 74.13 110.07 179.264 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 mtp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.595 0.236 . . . . 63.04 110.778 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 26.3 mm-40 -96.26 81.83 3.36 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 120.036 -0.666 . . . . 72.54 109.499 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -114.02 143.68 44.35 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.834 -0.621 . . . . 41.1 109.797 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . 176.96 -176.46 48.06 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.594 -0.812 . . . . 74.33 112.195 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.9 m -91.04 132.55 35.94 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.838 0.351 . . . . 75.43 110.593 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 50.4 t -68.27 110.77 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.358 -0.608 . . . . 65.44 109.358 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -68.93 -61.97 1.58 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.387 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.9 t90 -178.46 140.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 74.21 109.553 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.901 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 17.6 p90 -99.34 113.69 26.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.206 0.527 . . . . 72.22 110.283 178.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -73.52 83.59 1.51 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.803 0.811 . . . . 61.32 110.959 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.49 -12.06 28.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.98 -1.009 . . . . 73.43 110.966 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -54.71 -44.87 73.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.738 -0.665 . . . . 63.31 110.405 174.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.73 -3.21 13.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 62.31 110.576 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.13 47.64 6.42 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.666 -0.697 . . . . 51.34 112.43 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -137.04 -165.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.493 -0.558 . . . . 70.25 109.493 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.901 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -157.73 161.73 31.6 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.8 -0.714 . . . . 55.42 112.034 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -129.23 133.9 47.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.932 0.396 . . . . 73.34 110.321 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.545 HG13 HG21 ' A' ' 28' ' ' VAL . 70.2 mt -129.83 145.84 35.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.232 -0.655 . . . . 61.43 109.232 176.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.415 ' O ' ' HA3' ' A' ' 4' ' ' GLY . 27.1 tt0 -111.69 119.06 37.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.752 0.31 . . . . 75.31 110.365 -176.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -90.03 157.63 17.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.892 0.377 . . . . 63.1 110.615 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.98 -13.47 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.824 0.821 . . . . 75.23 108.861 169.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -112.57 18.71 18.16 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.855 -1.066 . . . . 65.01 110.368 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.5 108.44 0.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.217 -0.992 . . . . 43.34 112.642 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.44 143.9 46.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.841 0.353 . . . . 53.41 111.599 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.9 t70 63.94 99.4 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.179 -0.918 . . . . 72.13 112.57 175.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.1 t -120.36 134.63 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.676 -0.693 . . . . 71.41 110.185 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -81.8 106.09 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 73.31 110.626 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.545 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 62.0 t -88.43 132.01 34.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.063 -0.517 . . . . 71.23 111.056 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -118.94 177.75 4.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.899 -0.591 . . . . 54.3 109.968 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' HA ' HD13 ' A' ' 33' ' ' ILE . 50.6 p90 -67.27 -12.06 59.13 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.715 0.293 . . . . 61.23 111.486 -177.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 p -76.43 -15.87 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.093 0.473 . . . . 54.13 111.13 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.478 ' HB1' HG23 ' A' ' 63' ' ' VAL . . . -83.61 -29.67 27.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 72.12 110.694 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 30' ' ' PHE . 1.8 mp -62.63 136.95 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 73.42 110.299 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.444 ' H ' ' CD ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -101.43 176.77 5.13 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.807 -0.633 . . . . 71.31 110.734 -176.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 37' ' ' GLY . . . -78.59 -135.87 1.04 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.853 -0.689 . . . . 70.44 112.065 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 71.32 -40.02 0.47 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.255 0.622 . . . . 75.11 111.58 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 35' ' ' GLY . . . 138.2 27.13 0.31 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.793 -0.523 . . . . 61.12 111.793 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.99 161.08 15.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.246 0.546 . . . . 74.21 111.787 -175.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.28 -30.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.749 -1.114 . . . . 65.42 108.61 174.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 m -94.92 124.42 38.96 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.369 -0.832 . . . . 64.21 109.321 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.5 mt -106.63 148.03 28.81 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.784 -0.45 . . . . 71.1 109.784 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 6.2 m-20 -82.29 121.23 26.4 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.087 0.47 . . . . 74.31 110.28 -176.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.72 117.7 16.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.393 0.616 . . . . 75.41 110.179 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.45 -14.62 13.23 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.428 -0.805 . . . . 74.51 112.616 -175.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 23.9 pt20 -90.26 157.34 17.73 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.515 0.657 . . . . 74.34 110.737 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.65 135.38 40.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 73.34 110.774 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.4 m -135.49 163.8 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.338 -0.392 . . . . 53.02 110.88 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 m -119.68 134.38 55.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.409 -0.589 . . . . 75.44 109.409 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' A' ' 63' ' ' VAL . 46.4 p90 -150.38 -176.26 5.41 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 110.251 -0.277 . . . . 61.54 110.251 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -119.27 161.1 20.98 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.107 -0.637 . . . . 74.11 109.461 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 58' ' ' PRO . 8.9 p -129.82 140.55 48.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 120.305 -0.558 . . . . 70.31 111.598 -172.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -103.07 102.13 12.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.957 -0.565 . . . . 65.52 109.572 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.579 ' HG2' ' HB3' ' A' ' 58' ' ' PRO . 35.9 mt-10 -85.13 120.99 27.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.096 -0.705 . . . . 44.41 109.096 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -120.75 -154.9 9.43 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.237 -0.982 . . . . 64.21 113.438 -173.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -80.27 21.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 123.393 0.677 . . . . 75.33 112.564 -172.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -155.45 -54.27 0.09 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.947 0.403 . . . . 74.22 110.248 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.68 177.88 36.0 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.622 -0.799 . . . . 62.13 111.72 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.579 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 97.7 Cg_endo -87.67 122.32 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.041 2.494 . . . . 64.04 112.645 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -100.22 133.9 43.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.77 -0.456 . . . . 71.24 109.77 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.545 ' HB3' ' HA ' ' A' ' 28' ' ' VAL . . . -79.67 135.3 36.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.687 0.28 . . . . 62.12 111.282 -178.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.96 139.77 34.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.014 -0.539 . . . . 54.13 110.304 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.432 ' N ' ' HA ' ' A' ' 32' ' ' ALA . 3.6 t30 55.17 97.47 0.02 OUTLIER 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.819 0.818 . . . . 74.01 112.119 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.478 HG23 ' HB1' ' A' ' 32' ' ' ALA . 86.2 t -107.16 119.46 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.327 -0.851 . . . . 73.53 111.02 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -99.9 136.57 39.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.739 -0.664 . . . . 71.2 109.299 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -63.95 124.73 22.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.46 -0.336 . . . . 74.41 110.34 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.688 0 CA-C-O 118.504 -0.76 . . . . 52.05 109.553 179.305 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mmt . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.676 0.274 . . . . 65.3 110.711 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -91.42 112.69 24.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.622 0.249 . . . . 74.22 111.623 -173.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -104.5 116.97 33.02 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.375 -0.602 . . . . 74.54 109.375 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.95 -177.45 20.65 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.355 -0.926 . . . . 64.34 113.018 -174.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 m -94.01 127.56 39.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.748 0.308 . . . . 23.21 111.192 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.555 ' HA ' HG12 ' A' ' 18' ' ' ILE . 48.5 t -68.15 124.75 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.34 109.931 176.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -80.23 -56.13 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.294 -0.632 . . . . 53.35 109.294 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -176.88 154.19 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.84 -0.618 . . . . 74.53 109.671 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 8.0 p90 -106.85 102.75 12.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.605 0.717 . . . . 74.42 110.807 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.664 HD21 ' HB2' ' A' ' 15' ' ' PHE . 6.9 p-10 -77.95 77.22 4.46 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.839 0.828 . . . . 63.45 110.97 -178.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.03 -15.55 62.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.127 -0.942 . . . . 70.11 110.923 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.0 -35.04 70.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.543 -0.753 . . . . 74.23 110.387 177.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -111.89 -9.42 14.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 75.1 110.385 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.89 34.97 7.96 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.971 -0.559 . . . . 51.55 112.884 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.664 ' HB2' HD21 ' A' ' 10' ' ' ASN . 92.4 m-85 -138.11 -172.84 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.188 -0.301 . . . . 53.43 110.188 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -156.72 152.47 23.84 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.344 -0.702 . . . . 71.43 111.344 174.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -113.36 134.55 54.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.945 0.402 . . . . 72.23 110.661 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.555 HG12 ' HA ' ' A' ' 6' ' ' VAL . 57.5 mt -130.16 142.04 44.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.505 -0.77 . . . . 55.33 109.508 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -104.81 118.76 37.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.11 -0.495 . . . . 74.44 110.086 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 12.7 mmm180 -110.78 176.96 4.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.202 0.525 . . . . 65.44 111.695 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -76.6 -47.53 22.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.885 . . . . 64.11 111.626 -174.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -91.92 -16.22 26.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.115 0.483 . . . . 41.44 110.395 -176.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . -153.74 129.69 2.74 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.796 -0.716 . . . . 74.51 112.238 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -106.83 167.24 10.01 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.757 -0.46 . . . . 75.32 109.757 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 62.22 55.62 2.37 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.421 0.629 . . . . 64.52 110.28 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.28 132.89 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.736 -0.666 . . . . 73.1 110.326 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -89.3 117.42 28.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 70.43 111.126 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.544 HG12 ' HB3' ' A' ' 60' ' ' ALA . 3.1 m -106.41 149.92 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.747 -0.464 . . . . 73.44 109.747 175.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -126.83 140.63 52.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.499 -0.318 . . . . 63.1 110.621 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.59 ' HA ' HD13 ' A' ' 33' ' ' ILE . 89.8 t80 -53.34 -35.41 60.21 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.973 0.731 . . . . 72.33 112.973 -172.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -65.82 -10.76 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.472 0.545 . . . . 51.45 112.472 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.01 -12.62 38.07 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.053 0.454 . . . . 74.42 110.745 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 30' ' ' PHE . 2.0 mp -83.36 133.4 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 74.05 110.292 -177.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -81.74 154.63 25.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.137 -0.483 . . . . 75.23 109.926 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.95 -149.73 25.45 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.195 -1.003 . . . . 75.41 113.249 -176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t70 68.2 98.74 0.06 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.389 0.614 . . . . 74.33 110.914 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.01 -65.12 3.94 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.563 -0.744 . . . . 54.1 112.469 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.61 147.28 40.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.154 0.502 . . . . 71.12 111.403 -176.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 20.24 0.93 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.163 -0.926 . . . . 70.41 108.734 173.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -133.36 155.43 49.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.635 -1.166 . . . . 65.34 109.386 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.9 mt -110.5 134.42 52.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.612 0.244 . . . . 61.05 110.436 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 11.2 m-20 -83.27 124.25 30.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.604 -0.517 . . . . 71.14 109.604 175.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -69.41 116.52 9.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.991 -0.549 . . . . 65.35 110.354 -179.013 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.13 -13.82 31.25 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.62 -0.8 . . . . 72.42 112.71 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 16.0 pt20 -86.41 158.24 19.65 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 117.1 0.45 . . . . 73.21 110.457 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.05 136.04 33.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.97 -0.559 . . . . 61.34 110.234 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.54 161.04 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.558 -0.292 . . . . 75.54 110.65 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.54 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 9.3 m -105.89 133.89 49.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.396 -0.366 . . . . 54.34 110.275 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.641 ' CE2' HG22 ' A' ' 63' ' ' VAL . 12.3 m-85 -136.47 158.02 45.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.111 -0.495 . . . . 65.42 109.758 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -110.51 107.41 17.04 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.59 -0.522 . . . . 75.24 109.59 170.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.38 147.03 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 51.13 111.303 -172.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -136.86 117.38 13.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.402 -0.817 . . . . 73.04 110.272 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.39 109.77 9.2 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.84 -0.8 . . . . 75.34 108.84 172.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -117.74 -148.5 8.68 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.562 -0.828 . . . . 63.4 113.732 -171.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -80.17 40.16 0.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.768 0.655 . . . . 54.31 112.768 -170.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 179.33 -27.3 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.703 0.287 . . . . 65.25 111.31 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.35 -168.93 37.51 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.713 -0.756 . . . . 75.15 111.719 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.85 103.47 1.58 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.932 2.421 . . . . 71.41 112.08 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -102.38 134.1 46.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.892 -0.595 . . . . 72.34 109.765 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.544 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -97.24 128.44 44.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.042 0.448 . . . . 72.01 111.392 -177.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.01 177.41 7.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.672 -0.694 . . . . 72.01 109.45 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 55.73 90.38 0.03 OUTLIER 'General case' 0 C--O 1.239 0.532 0 O-C-N 123.567 0.542 . . . . 72.42 110.98 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.641 HG22 ' CE2' ' A' ' 49' ' ' PHE . 47.6 t -94.67 124.43 47.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.036 -0.529 . . . . 72.31 111.732 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.54 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 35.1 tt0 -121.63 132.37 54.62 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.99 -0.744 . . . . 74.15 108.99 174.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -74.57 134.73 42.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.02 0.438 . . . . 61.21 111.271 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-N 115.612 -0.722 . . . . 74.23 109.352 173.562 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.081 0.467 . . . . 74.23 110.492 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.535 ' OE2' ' HD2' ' A' ' 20' ' ' ARG . 7.6 tp10 -132.45 160.89 35.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.377 -0.829 . . . . 74.04 109.074 -175.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -136.61 147.27 46.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.762 0.315 . . . . 65.51 110.691 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.556 ' HA3' ' HA ' ' A' ' 20' ' ' ARG . . . -178.2 -150.32 8.6 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.7 -0.762 . . . . 54.14 112.592 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 m -139.0 138.8 37.57 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.169 -0.308 . . . . 74.34 110.169 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.14 122.19 17.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.583 -0.28 . . . . 72.44 111.028 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' H ' ' HA ' ' A' ' 18' ' ' ILE . 10.3 tppt? -74.48 -54.73 6.97 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.63 -0.507 . . . . 74.53 109.63 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.401 ' HA ' ' HB3' ' A' ' 43' ' ' GLU . 27.1 t90 -178.61 139.44 0.18 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.28 -0.873 . . . . 75.25 109.762 173.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.446 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 51.6 t80 -100.97 97.76 8.3 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.667 -0.494 . . . . 74.24 109.667 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.442 HD22 ' HB2' ' A' ' 13' ' ' LYS . 2.6 p-10 -69.0 81.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.746 0.784 . . . . 74.13 111.384 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.06 -14.86 53.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.256 -0.884 . . . . 54.21 111.12 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -57.19 -37.48 72.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.849 -0.614 . . . . 72.14 110.209 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB2' HD22 ' A' ' 10' ' ' ASN . 48.3 mmtm -104.86 -21.83 13.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.608 -0.724 . . . . 64.33 110.402 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.12 27.41 10.95 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.84 -0.695 . . . . 74.02 111.819 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.9 -170.29 3.0 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.791 -0.818 . . . . 73.21 108.791 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 9' ' ' PHE . . . -169.21 163.91 37.54 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.197 -1.001 . . . . 45.34 112.331 176.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -112.16 135.48 52.77 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.518 -0.549 . . . . 74.34 109.518 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.593 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 57.3 mt -127.43 145.06 35.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.11 0.481 . . . . 72.44 110.286 178.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 51.6 tt0 -101.46 145.15 29.36 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.388 -0.823 . . . . 62.55 109.164 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.556 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 16.2 ptt180 -132.69 171.4 13.91 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.188 -0.301 . . . . 74.51 110.188 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -63.06 -19.81 64.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.095 0.474 . . . . 62.33 110.821 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -102.36 13.25 35.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.709 -0.678 . . . . 53.31 111.817 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.451 ' O ' ' HG2' ' A' ' 20' ' ' ARG . . . 133.79 165.95 11.17 Favored Glycine 0 C--O 1.223 -0.551 0 C-N-CA 120.564 -0.827 . . . . 63.31 112.609 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.525 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 19.8 p-10 -95.86 56.73 1.75 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.472 0.653 . . . . 74.02 110.878 -179.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -140.66 81.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.539 0.685 . . . . 50.34 111.745 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.593 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 84.2 t -133.99 120.2 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.498 -0.774 . . . . 74.32 109.761 171.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -95.74 107.23 19.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.943 0.402 . . . . 73.54 110.729 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -99.55 150.08 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.292 -0.413 . . . . 54.11 110.883 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -144.37 164.83 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.553 . . . . 74.11 109.969 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -51.96 -40.58 61.08 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.272 0.842 . . . . 74.13 113.272 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -63.9 -3.01 2.15 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.033 0.753 . . . . 72.04 113.033 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -97.97 -15.59 20.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.681 0.277 . . . . 70.1 111.627 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.7 mp -87.93 141.94 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.014 -0.539 . . . . 74.2 110.896 -173.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.423 HE22 ' HB ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -117.51 -169.6 1.7 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 55.35 109.924 -179.666 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.89 89.16 0.56 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.28 -0.962 . . . . 21.15 111.833 174.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -100.3 -43.13 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.52 0.676 . . . . 72.52 110.22 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.36 -36.97 0.86 Allowed Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 109.825 -1.31 . . . . 15.41 109.825 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -106.18 168.52 9.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.149 -0.685 . . . . 75.43 109.149 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.64 13.76 24.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.347 0.594 . . . . 72.43 110.65 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 p -156.21 178.53 10.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.399 -0.819 . . . . 74.13 109.545 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -107.51 129.11 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.991 0.424 . . . . 74.33 110.829 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 2.9 m-20 -92.96 131.29 38.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.498 0.666 . . . . 73.43 111.35 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . 2.6 pm0 -57.88 131.41 50.3 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.942 -1.026 . . . . 73.2 110.629 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.5 -24.75 14.83 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.374 -0.917 . . . . 61.34 112.935 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.535 ' OE1' ' HE3' ' A' ' 65' ' ' LYS . 28.2 pt20 -81.0 142.01 33.84 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.024 -0.671 . . . . 72.54 110.763 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.69 135.38 39.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 62.25 110.099 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.0 m -143.47 167.48 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.269 0.556 . . . . 73.51 111.28 -177.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.605 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 24.8 m -108.26 139.47 42.91 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.205 -1.035 . . . . 72.01 108.205 171.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.537 ' CZ ' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -141.02 145.59 36.11 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 121.128 -0.229 . . . . 71.12 110.633 -170.234 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -96.97 156.58 16.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.377 -0.971 . . . . 71.31 108.377 169.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.75 131.52 62.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.473 0.654 . . . . 51.14 112.429 -171.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -119.07 103.21 9.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.11 -0.95 . . . . 63.2 109.055 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.652 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 67.9 mt-10 -71.97 123.18 22.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.032 0.444 . . . . 73.31 110.488 -177.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.3 -148.19 10.11 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.522 -0.763 . . . . 61.11 112.422 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -76.04 -34.56 59.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.809 0.338 . . . . 74.12 111.155 -174.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.45 23.46 1.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 72.01 111.712 -176.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.462 ' HA2' ' HD3' ' A' ' 58' ' ' PRO . . . -173.9 138.27 4.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.147 -1.025 . . . . 62.0 112.796 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.652 ' HA ' ' HA ' ' A' ' 53' ' ' GLU . 7.0 Cg_exo -73.1 106.32 2.13 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 123.117 2.545 . . . . 62.22 111.924 176.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -98.64 134.45 41.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.988 0.423 . . . . 74.11 110.112 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 49' ' ' PHE . . . -95.78 146.41 24.56 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.14 -0.482 . . . . 61.0 111.745 -173.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.2 158.42 43.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.377 -0.829 . . . . 61.45 109.533 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 63.1 90.64 0.08 Allowed 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.315 0.384 . . . . 51.31 110.66 -176.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.537 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 62.0 t -83.21 138.3 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.318 -0.401 . . . . 74.41 110.242 173.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.605 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 34.8 tt0 -123.5 125.28 44.62 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.69 -0.856 . . . . 71.21 108.69 169.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HE3' ' OE1' ' A' ' 45' ' ' GLN . 21.1 tptm -77.39 133.23 38.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 73.13 110.427 -175.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.298 -0.858 . . . . 74.4 110.202 179.802 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.484 ' N ' ' HA ' ' A' ' 50' ' ' ASP . 66.6 mtt . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.002 0.43 . . . . 73.14 110.831 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.481 ' OE2' ' HB3' ' A' ' 20' ' ' ARG . 33.1 tt0 -167.9 151.16 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.265 -1.013 . . . . 74.32 108.265 176.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -87.05 125.58 34.2 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.723 -0.391 . . . . 63.41 110.432 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.33 162.52 13.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.879 -0.677 . . . . 61.53 112.195 -177.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.8 m -117.12 126.12 52.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.617 0.246 . . . . 72.02 110.447 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.592 ' HA ' HG12 ' A' ' 18' ' ' ILE . 64.0 t -66.68 121.11 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 62.33 110.964 -177.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.86 -62.03 1.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.582 -0.281 . . . . 51.53 110.404 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -172.71 142.05 1.14 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.254 -0.43 . . . . 72.52 110.308 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.454 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 44.3 m-85 -101.69 107.21 18.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.358 -0.383 . . . . 74.31 110.688 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -73.31 77.5 1.34 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 122.393 1.092 . . . . 73.14 109.905 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.61 -11.21 42.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.61 -1.177 . . . . 60.53 111.798 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.48 -38.9 78.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.544 . . . . 60.24 110.359 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -110.76 -7.79 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.06 0.457 . . . . 75.33 110.441 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.68 44.21 5.86 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.763 -0.732 . . . . 72.1 112.487 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -138.99 -169.56 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.52 -0.548 . . . . 61.4 109.52 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -167.37 167.13 39.72 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.479 -0.867 . . . . 50.31 112.221 175.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -120.17 135.23 55.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.658 -0.497 . . . . 74.23 109.658 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.761 HD12 ' HE2' ' A' ' 49' ' ' PHE . 27.8 mt -133.92 144.38 35.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.11 -0.496 . . . . 74.23 109.692 177.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -100.59 150.23 22.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.625 -0.261 . . . . 73.22 110.513 -174.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.503 ' HD2' HG21 ' A' ' 51' ' ' VAL . 74.2 mtp180 -116.61 174.01 6.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.994 0.426 . . . . 75.34 110.756 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -84.91 -36.51 21.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.654 -0.703 . . . . 73.12 109.414 171.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -103.7 5.17 36.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.78 -0.645 . . . . 62.53 111.566 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . -157.28 160.76 30.75 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.638 -0.792 . . . . 72.24 112.459 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -119.73 152.36 37.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.916 -0.167 . . . . 60.43 110.725 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.7 t70 46.92 79.56 0.06 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 124.355 1.035 . . . . 64.33 112.313 172.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -104.85 137.12 35.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.048 -0.524 . . . . 61.32 110.225 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -84.05 116.86 23.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.414 0.626 . . . . 74.43 111.054 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.595 HG23 ' HZ ' ' A' ' 49' ' ' PHE . 7.7 p -108.45 145.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.545 -0.752 . . . . 65.43 109.872 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 31' ' ' SER . 0.6 OUTLIER -139.07 167.27 22.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.681 -0.691 . . . . 71.32 109.767 -178.783 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.581 ' HA ' HD13 ' A' ' 33' ' ' ILE . 95.4 m-85 -67.36 -8.53 33.41 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.999 0.37 . . . . 73.14 111.999 -172.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.404 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 3.6 m -66.88 -21.43 66.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.135 0.493 . . . . 75.4 110.238 173.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . . . -89.28 -19.42 25.36 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.753 -0.658 . . . . 70.35 110.967 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.581 HD13 ' HA ' ' A' ' 30' ' ' PHE . 1.7 mp -72.77 133.48 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.605 -0.725 . . . . 73.41 110.681 -177.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.82 -175.49 5.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.697 -0.683 . . . . 70.51 111.477 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.25 -129.45 4.02 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.873 -0.679 . . . . 62.22 112.691 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.18 127.5 32.43 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.21 0.529 . . . . 74.42 111.352 -176.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.37 -84.77 0.17 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.235 -0.746 . . . . 71.24 111.235 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -151.93 85.22 1.29 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.089 -0.708 . . . . 75.43 109.089 174.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.75 4.87 53.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.441 -0.799 . . . . 75.05 111.957 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 m -110.05 137.18 48.17 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.493 -0.558 . . . . 74.13 109.493 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.421 HD12 ' CZ ' ' A' ' 9' ' ' PHE . 89.0 mt -119.31 129.41 54.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.865 0.364 . . . . 75.33 111.127 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.479 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 1.7 m-20 -96.16 140.96 30.11 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 115.752 -0.658 . . . . 71.22 111.012 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HG3' ' H ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -62.96 134.64 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 63.4 111.091 -179.437 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.62 -10.9 62.93 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 120.51 -0.852 . . . . 54.44 113.142 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.479 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 18.2 pt20 -91.17 153.25 20.16 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 117.824 0.812 . . . . 60.32 110.676 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -101.52 143.01 32.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.97 -0.559 . . . . 74.43 110.812 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.01 158.55 13.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.965 -0.561 . . . . 70.3 109.675 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.634 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 11.9 m -84.49 134.38 34.44 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.61 -0.885 . . . . 74.21 108.61 173.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.761 ' HE2' HD12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -136.28 145.07 45.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.785 0.326 . . . . 75.11 110.755 -170.388 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.484 ' HA ' ' N ' ' A' ' 1' ' ' MET . 27.4 t70 -101.14 103.75 14.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.372 0.606 . . . . 52.02 109.888 172.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.503 HG21 ' HD2' ' A' ' 20' ' ' ARG . 6.5 p -106.73 140.32 25.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.828 -0.624 . . . . 74.24 111.174 -173.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -135.09 157.42 46.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.684 -0.689 . . . . 72.22 109.892 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -96.11 110.05 22.38 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.026 -0.731 . . . . 65.42 109.026 176.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -99.99 -147.91 21.94 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.652 -0.785 . . . . 51.45 112.936 -172.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -69.99 95.24 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.607 -0.296 . . . . 74.03 110.66 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 56' ' ' ARG . 22.6 ttm-85 76.77 -42.88 0.44 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.291 -0.868 . . . . 63.55 111.761 177.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.84 152.38 18.02 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.671 -0.776 . . . . 70.02 112.879 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.17 128.97 15.41 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.939 2.426 . . . . 60.42 111.759 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -120.15 142.38 49.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.202 -0.454 . . . . 63.34 109.893 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -124.37 145.56 49.38 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.257 -0.577 . . . . 73.05 112.325 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.565 ' HA ' ' HB2' ' A' ' 32' ' ' ALA . . . -139.86 169.77 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.296 -0.865 . . . . 61.04 109.428 177.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 60.38 94.23 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.45 0.3 . . . . 63.11 111.689 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.61 115.38 43.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 C-N-CA 120.041 -0.664 . . . . 75.43 110.479 173.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.634 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 55.0 tt0 -103.98 124.43 49.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.158 -0.682 . . . . 65.43 109.158 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -69.79 127.91 34.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.106 0.479 . . . . 74.21 111.695 -175.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.71 -0.677 . . . . 45.02 109.178 171.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.677 ' HA ' ' HA ' ' A' ' 50' ' ' ASP . 2.0 mpt? . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.68 0.276 . . . . 74.41 110.323 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -140.39 147.72 40.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.261 -0.427 . . . . 74.34 110.344 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.411 HE21 ' HB1' ' A' ' 46' ' ' ALA . 54.0 tp60 -102.52 117.15 34.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.651 -0.499 . . . . 75.24 109.651 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.59 -174.64 17.02 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.266 -0.969 . . . . 61.21 113.235 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.6 m -118.07 132.38 56.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.625 0.25 . . . . 72.31 110.496 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -70.68 125.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.391 . . . . 73.15 110.368 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 43' ' ' GLU . 21.3 ttmm -81.3 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.886 -0.413 . . . . 72.34 109.886 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 21.2 t90 178.74 151.29 0.3 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.856 -0.611 . . . . 72.45 109.769 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.802 ' HA ' ' HA2' ' A' ' 16' ' ' GLY . 6.2 p90 -116.18 90.54 3.36 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 120.763 0.316 . . . . 64.13 110.458 178.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.419 ' ND2' ' H ' ' A' ' 10' ' ' ASN . 2.6 m-80 -59.47 90.77 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.211 0.529 . . . . 42.32 111.159 -156.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.25 -24.05 0.66 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 115.095 1.517 . . . . 70.23 115.095 -172.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.36 -27.46 67.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.164 0.507 . . . . 72.42 110.038 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 7.3 mmpt? -117.9 -20.38 8.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.302 -0.863 . . . . 72.1 109.642 170.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.1 72.94 0.92 Allowed Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.599 -0.728 . . . . 51.1 111.35 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 19.5 m-85 -156.29 122.83 5.12 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 120.036 -0.666 . . . . 73.05 111.778 -168.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.802 ' HA2' ' HA ' ' A' ' 9' ' ' PHE . . . -92.1 147.33 18.67 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.166 -1.016 . . . . 52.25 113.714 -167.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 69.3 m-85 -128.82 134.58 48.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.149 -0.526 . . . . 70.13 109.694 170.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.629 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 56.7 mt -107.49 147.3 12.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-N 115.545 -0.752 . . . . 74.31 109.304 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.813 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 25.9 tt0 -106.61 119.61 39.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.878 -0.601 . . . . 73.42 109.948 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.58 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -132.91 -176.37 4.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.15 0.5 . . . . 64.13 112.033 -176.405 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.3 -21.16 62.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.239 -0.891 . . . . 74.23 111.127 -177.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -103.23 13.24 34.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.301 -0.409 . . . . 64.32 110.453 -175.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.73 166.49 11.34 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.94 -0.648 . . . . 73.54 111.995 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.813 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 13.2 p-10 -120.88 56.73 1.0 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.687 0.756 . . . . 73.42 110.935 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -147.77 44.61 1.1 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.442 -0.799 . . . . 71.34 110.013 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 44.3 t -84.3 115.0 25.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 71.24 109.856 178.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -73.87 112.56 10.11 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.717 -0.674 . . . . 74.35 112.126 -173.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.532 ' HB ' ' HA3' ' A' ' 16' ' ' GLY . 47.1 t -94.14 110.69 23.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.059 -0.519 . . . . 74.22 110.046 175.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.46 ' HE1' ' HB2' ' A' ' 59' ' ' GLN . 3.0 p-80 -100.32 141.95 32.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.756 -0.656 . . . . 74.44 110.451 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' O ' HG22 ' A' ' 33' ' ' ILE . 38.2 p90 -71.5 -1.02 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.9 -0.591 . . . . 74.22 112.476 -173.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.3 p -84.14 -3.58 58.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.891 0.377 . . . . 70.41 111.271 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -124.98 8.12 8.04 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 116.321 -0.399 . . . . 43.01 111.734 -177.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.677 HD12 HG21 ' A' ' 63' ' ' VAL . 8.4 tp -91.55 137.41 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 51.34 111.089 -176.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -138.43 148.18 44.13 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.808 -0.812 . . . . 74.03 108.808 172.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.71 173.89 30.16 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.417 -0.896 . . . . 64.12 112.404 -176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -81.07 -46.2 15.35 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.326 -0.62 . . . . 74.54 109.326 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.52 30.76 0.47 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.76 -0.936 . . . . 72.55 110.76 176.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -136.97 168.51 19.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.287 -0.456 . . . . 74.54 109.981 -175.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -133.41 10.19 4.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.024 -0.732 . . . . 54.34 109.024 173.619 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 m -118.26 160.62 21.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.172 -0.922 . . . . 55.43 110.454 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -117.91 144.35 45.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.042 -0.526 . . . . 72.04 109.743 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -82.61 126.66 32.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.963 0.411 . . . . 75.15 110.221 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -71.47 118.88 14.84 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.419 -0.586 . . . . 54.22 109.419 178.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.79 -7.16 41.6 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.681 -0.771 . . . . 51.01 112.754 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -82.52 147.93 28.38 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.197 0.499 . . . . 73.23 110.274 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 66' ' ' ALA . . . -93.1 127.38 38.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.967 -0.56 . . . . 73.33 109.769 176.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.446 HG12 ' HD2' ' A' ' 65' ' ' LYS . 2.4 m -146.17 164.03 9.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.88 0.371 . . . . 54.05 110.96 -177.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.6 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 7.9 m -103.87 135.62 45.06 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.667 -0.697 . . . . 71.34 110.138 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.736 ' CE2' HG22 ' A' ' 63' ' ' VAL . 27.8 m-85 -135.65 142.38 45.16 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.43 -0.581 . . . . 74.53 109.43 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.677 ' HA ' ' HA ' ' A' ' 1' ' ' MET . 27.3 t70 -87.04 103.86 15.77 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.901 -0.777 . . . . 75.35 108.901 173.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.67 138.76 18.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.769 -0.65 . . . . 72.13 111.727 -170.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.769 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 30.6 mt-10 -120.72 150.79 40.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.432 -0.803 . . . . 75.45 109.18 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -92.25 109.72 21.1 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 108.976 -0.75 . . . . 74.0 108.976 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.55 -171.87 45.26 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.639 -0.791 . . . . 41.41 112.722 -174.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -78.3 -22.46 48.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.025 0.44 . . . . 72.21 110.906 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 56' ' ' ARG . 11.3 mmt180 -108.31 -33.42 7.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 73.31 111.121 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.62 -170.85 43.93 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 111.258 -0.737 . . . . 72.43 111.258 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -65.86 119.51 6.54 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.799 2.333 . . . . 64.33 112.037 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.769 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 10.6 pt20 -106.63 136.23 46.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.972 0.415 . . . . 72.43 110.41 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.516 ' HB1' ' CD2' ' A' ' 49' ' ' PHE . . . -98.84 123.54 43.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 65.2 111.297 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . . . -126.83 163.96 22.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.013 -0.54 . . . . 72.24 109.789 176.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 52.71 88.96 0.03 OUTLIER 'General case' 0 C--O 1.239 0.52 0 O-C-N 123.619 0.574 . . . . 73.52 111.428 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.736 HG22 ' CE2' ' A' ' 49' ' ' PHE . 47.2 t -79.67 123.52 36.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.066 -0.516 . . . . 72.3 110.771 176.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.6 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 58.5 tt0 -122.89 125.87 46.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.585 -0.524 . . . . 75.13 109.585 175.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HD2' HG12 ' A' ' 47' ' ' VAL . 27.7 tptp -74.05 126.05 29.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.864 0.364 . . . . 65.03 111.712 -175.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.253 1.273 0 CA-C-O 118.29 -0.862 . . . . 71.34 109.423 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.753 0.311 . . . . 60.32 110.414 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.641 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 69.0 mm-40 -91.46 108.95 20.25 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.646 -0.421 . . . . 75.32 110.491 -178.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.511 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 35.8 tt0 -115.59 127.62 55.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.32 -0.4 . . . . 72.2 110.37 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' A' ' 19' ' ' GLU . . . -158.03 172.55 35.18 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.804 -0.713 . . . . 72.4 112.106 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 93.6 m -90.98 138.39 31.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.042 0.448 . . . . 71.52 110.936 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.71 123.41 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.828 -0.624 . . . . 55.05 110.338 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 13.8 tppt? -74.91 -57.08 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 70.41 110.065 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -174.95 142.35 0.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.372 -0.603 . . . . 75.23 109.372 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -102.37 97.1 7.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.895 0.379 . . . . 73.35 110.571 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -76.15 79.61 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.672 0.749 . . . . 72.12 111.197 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.02 -20.64 66.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.199 -0.909 . . . . 63.22 110.951 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -54.62 -43.85 72.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.324 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.91 -21.92 21.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 74.11 110.147 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.48 35.68 7.83 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.721 -0.672 . . . . 53.15 111.506 -177.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -144.18 -169.68 3.18 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.832 -0.433 . . . . 75.12 109.832 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.6 160.55 30.0 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.845 -0.693 . . . . 74.15 111.761 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.455 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 69.8 m-85 -111.37 133.91 53.34 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.749 -0.463 . . . . 60.34 109.749 178.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.2 mt -131.11 150.57 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.756 -0.656 . . . . 63.01 109.661 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 2.6 tt0 -98.99 144.91 27.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.943 0.401 . . . . 70.41 110.698 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 50.5 mtp180 -131.8 168.54 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.907 -0.588 . . . . 64.13 109.84 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.99 -27.56 68.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.714 -0.675 . . . . 72.34 110.372 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -96.72 13.23 29.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.738 -0.665 . . . . 54.43 111.236 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.25 148.07 5.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.493 -0.86 . . . . 74.5 112.506 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.682 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 17.0 p-10 -103.93 57.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.421 0.629 . . . . 74.31 111.141 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -131.93 32.35 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.708 -0.678 . . . . 60.4 110.514 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.1 t -87.03 124.83 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.911 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.21 113.79 25.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.107 -0.497 . . . . 71.42 110.666 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.7 p -91.73 143.78 10.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 C-N-CA 120.79 -0.364 . . . . 74.5 110.038 177.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 31' ' ' SER . 7.9 p80 -124.82 164.45 20.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.811 -0.631 . . . . 73.0 109.844 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.543 ' HA ' HD13 ' A' ' 33' ' ' ILE . 61.1 m-85 -59.86 -24.37 64.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.584 0.957 . . . . 73.25 113.584 -169.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.481 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.5 m -59.73 -32.72 70.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.943 0.401 . . . . 71.45 110.808 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HB1' HG23 ' A' ' 63' ' ' VAL . . . -80.14 -19.85 46.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.52 110.852 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' A' ' 30' ' ' PHE . 1.7 mp -69.52 140.22 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.487 -0.779 . . . . 54.01 110.861 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.41 -164.41 1.94 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.961 -0.563 . . . . 72.22 110.155 177.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.04 -127.46 4.48 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.663 -0.78 . . . . 74.44 114.278 -170.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 83.15 -72.5 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.469 1.108 . . . . 72.11 110.954 -178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.61 -62.62 0.36 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.703 -0.76 . . . . 72.13 111.928 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -138.77 156.56 47.26 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.532 -0.544 . . . . 75.24 109.532 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.51 ' HD2' ' H ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -86.19 -8.78 57.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.613 0.721 . . . . 75.11 109.436 175.012 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 p -85.98 160.96 19.21 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.412 -0.813 . . . . 62.31 108.858 170.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.0 tp -105.99 128.34 53.76 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.584 -0.524 . . . . 61.5 109.584 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 45' ' ' GLN . 15.6 m-20 -84.58 121.55 27.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.397 0.618 . . . . 52.5 111.897 -172.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 1.0 OUTLIER -67.45 122.51 18.11 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.182 -0.917 . . . . 75.22 109.597 179.21 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.23 -9.41 45.98 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.327 -0.94 . . . . 65.33 113.394 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 25.7 pt20 -88.86 155.95 19.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.728 0.764 . . . . 74.11 110.183 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -104.48 120.03 40.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.646 -0.501 . . . . 55.35 109.646 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.0 m -128.65 148.22 33.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.251 0.548 . . . . 75.43 111.045 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.587 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 5.0 m -92.83 154.88 17.99 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.901 -1.148 . . . . 63.34 107.901 172.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -163.91 174.64 11.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 118.053 0.388 . . . . 75.43 110.871 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 24.3 t70 -95.38 137.24 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.572 -0.74 . . . . 73.52 109.569 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.641 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 7.2 p -95.9 126.25 48.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.204 0.526 . . . . 74.05 111.487 -175.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 1.01 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 35.5 mt-10 -108.05 117.72 34.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.909 -0.587 . . . . 53.11 109.609 174.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.38 108.29 8.07 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.281 -1.007 . . . . 75.3 108.281 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.36 -160.36 36.39 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.9 -0.666 . . . . 74.13 113.042 -171.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -68.67 -33.01 73.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.626 -0.287 . . . . 75.14 111.545 -175.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -148.58 16.86 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.774 -0.37 . . . . 55.24 111.911 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.71 177.26 46.39 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.203 -0.999 . . . . 22.2 112.353 -178.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -87.65 127.76 2.37 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.924 2.416 . . . . 64.33 112.872 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 1.01 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 12.9 pt20 -119.18 159.18 24.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.008 -0.542 . . . . 73.04 110.043 176.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.93 126.18 51.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.131 0.419 . . . . 71.02 112.131 -173.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 50' ' ' ASP . . . -100.18 -178.96 3.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.43 -0.805 . . . . 63.22 109.355 173.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -23.96 126.57 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.282 1.216 . . . . 72.43 114.282 -168.349 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.55 HG23 ' HB1' ' A' ' 32' ' ' ALA . 95.4 t -95.8 138.65 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.716 -1.129 . . . . 71.11 111.734 -176.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.587 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 35.1 tt0 -110.38 139.32 45.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.422 -0.808 . . . . 71.44 109.06 173.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 147.18 26.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.008 0.432 . . . . 51.01 111.738 -172.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.383 -0.818 . . . . 54.54 109.767 177.418 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.877 0.37 . . . . 73.44 110.923 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.605 ' HG3' ' HB ' ' A' ' 51' ' ' VAL . 1.9 pm0 -83.59 96.03 8.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.477 0.656 . . . . 73.44 110.486 -173.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.579 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 33.1 tt0 -100.94 131.81 46.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.066 -0.97 . . . . 74.3 110.126 -177.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.5 168.29 31.54 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.518 -0.849 . . . . 42.21 112.227 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 46' ' ' ALA . 49.4 m -90.41 128.73 36.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.726 0.298 . . . . 74.51 110.461 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.408 ' HA ' HG12 ' A' ' 18' ' ' ILE . 44.1 t -73.07 104.88 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.475 -0.565 . . . . 73.45 109.475 176.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -70.7 -38.27 73.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.93 0.395 . . . . 64.03 110.205 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.503 ' CZ3' ' HB3' ' A' ' 10' ' ' ASN . 9.3 t90 -156.81 151.4 25.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.13 -0.486 . . . . 64.22 109.871 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -130.63 98.06 4.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 74.2 110.332 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.658 HD22 ' HG3' ' A' ' 13' ' ' LYS . 4.6 p-10 -82.81 76.66 9.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.682 0.753 . . . . 73.22 110.358 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.03 -27.41 68.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.042 -0.981 . . . . 73.31 111.478 -176.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.99 -36.66 82.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.964 0.411 . . . . 74.12 110.147 176.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.658 ' HG3' HD22 ' A' ' 10' ' ' ASN . 10.1 mmpt? -82.92 -24.24 33.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.412 -0.588 . . . . 74.22 109.412 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.24 26.39 16.16 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.265 -0.88 . . . . 54.32 111.546 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -139.31 -176.32 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.063 0.459 . . . . 60.52 110.941 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -154.21 163.0 30.87 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.869 -0.892 . . . . 64.41 110.869 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -122.01 132.86 54.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.124 0.462 . . . . 72.12 110.384 177.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.503 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 46.5 mt -121.88 144.77 30.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.806 -0.634 . . . . 65.05 109.991 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.853 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 15.8 pt-20 -100.27 121.41 41.43 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.033 -0.53 . . . . 73.11 109.636 177.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -124.49 -175.16 3.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.892 -0.595 . . . . 73.21 111.348 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -67.88 -27.12 66.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.888 -1.051 . . . . 63.44 111.589 -174.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -89.11 -21.62 23.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.072 0.463 . . . . 63.14 110.766 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.98 168.6 21.26 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.918 -0.658 . . . . 63.52 111.816 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.853 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.5 p-10 -105.62 56.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.716 0.77 . . . . 70.44 110.734 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -135.48 32.46 3.07 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.383 -0.826 . . . . 53.13 110.368 -178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.503 ' HB ' ' HB ' ' A' ' 18' ' ' ILE . 46.5 t -84.67 112.0 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.098 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -76.18 117.19 17.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.763 -0.653 . . . . 74.41 112.012 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -89.99 135.55 26.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.99 -0.55 . . . . 64.51 109.896 175.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 67.7 m80 -102.92 131.88 49.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.877 -0.416 . . . . 70.41 109.877 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.447 ' HA ' HD13 ' A' ' 33' ' ' ILE . 19.6 p90 -59.38 -27.61 66.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.185 0.517 . . . . 73.41 110.413 177.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 t -74.08 -5.26 40.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.794 -0.639 . . . . 61.21 110.927 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.68 -18.93 18.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.545 -0.298 . . . . 60.01 111.276 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.475 HG13 HG21 ' A' ' 63' ' ' VAL . 2.2 mp -76.65 123.83 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 74.05 110.698 -177.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -75.41 119.16 19.12 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.968 -0.753 . . . . 73.21 108.968 171.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.54 -135.77 4.25 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.921 -0.657 . . . . 72.12 112.932 -172.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 70.65 -75.79 0.07 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.455 0.702 . . . . 70.32 110.402 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.81 -52.98 6.65 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.119 -0.563 . . . . 75.32 111.969 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -130.32 118.95 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.833 0.349 . . . . 71.31 110.668 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -96.55 10.61 37.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.062 -0.517 . . . . 75.41 110.949 177.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.0 t -153.57 154.86 35.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.047 -0.524 . . . . 62.5 110.016 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -107.68 134.17 51.04 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.613 -0.514 . . . . 53.35 109.613 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.464 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 6.6 m-20 -83.2 122.89 29.0 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.227 -0.442 . . . . 71.31 110.184 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.8 136.71 58.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.435 0.636 . . . . 71.21 110.533 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.31 -21.41 33.18 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.399 -0.819 . . . . 55.31 112.556 -177.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.464 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 22.4 pt20 -88.55 154.94 19.93 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 117.374 0.587 . . . . 73.41 110.798 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 5' ' ' THR . . . -96.04 132.87 40.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.892 -0.594 . . . . 61.1 110.158 177.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.0 m -137.68 159.82 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.463 -0.335 . . . . 73.24 110.497 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.592 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 3.8 m -105.41 146.08 29.95 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.432 -0.349 . . . . 75.13 110.381 -177.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CE2' HG22 ' A' ' 63' ' ' VAL . 29.3 m-85 -136.98 171.51 14.39 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 121.127 0.489 . . . . 70.1 111.587 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -102.82 133.44 47.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.699 -1.137 . . . . 74.25 108.706 166.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.605 ' HB ' ' HG3' ' A' ' 2' ' ' GLU . 8.0 p -90.59 142.58 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.211 0.529 . . . . 75.13 112.337 -172.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' HG3' ' HG3' ' A' ' 59' ' ' GLN . 5.4 pt-20 -145.32 151.47 38.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.775 -0.648 . . . . 74.02 110.169 173.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -95.2 124.86 39.46 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.631 -0.507 . . . . 63.41 109.631 173.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.07 -167.76 28.09 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.453 -0.88 . . . . 64.45 112.623 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -82.05 3.75 25.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.142 0.496 . . . . 73.45 110.802 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.561 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 4.1 mmp_? -122.44 -56.41 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.926 -0.579 . . . . 65.31 110.653 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.63 -157.24 13.12 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.817 -0.706 . . . . 34.22 111.753 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -67.39 115.38 3.66 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.657 2.238 . . . . 71.12 111.539 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.485 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 12.5 pt20 -128.42 159.45 35.35 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.28 -0.418 . . . . 75.13 110.06 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.84 143.02 47.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.187 0.518 . . . . 70.24 111.95 -173.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.62 166.8 23.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.395 -0.82 . . . . 61.24 109.468 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 59.04 99.68 0.02 OUTLIER 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.106 0.479 . . . . 65.04 110.741 -176.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.696 HG22 ' CE2' ' A' ' 49' ' ' PHE . 47.9 t -89.97 132.8 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.669 -0.696 . . . . 52.44 111.451 -178.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.592 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 53.7 tt0 -121.36 124.55 44.83 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.598 -0.89 . . . . 72.05 108.598 171.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -75.8 127.83 33.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.18 0.514 . . . . 70.23 111.884 -173.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.592 -0.731 . . . . 75.12 109.107 172.783 . . . . . . . . 1 1 . 1 stop_ save_