data_1v5r_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 1v5r _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 ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.859 0.361 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 tp -54.48 -53.92 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -56.37 -43.56 79.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.14 -48.85 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.45 ' CB ' ' HE1' ' A' ' 50' ' ' MET . . . -65.03 -51.57 60.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.7 t -53.06 -48.92 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -56.15 -49.52 73.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.19 -63.64 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.7 mt -43.49 -51.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.5 p -57.72 -36.41 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -102.69 31.46 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 30.3 t70 -172.49 104.99 0.34 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.5 Cg_endo -69.75 145.47 79.47 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.332 0.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.48 17.68 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.655 2.236 . . . . 0.0 112.371 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.6 t -51.15 122.94 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' CYS . 44.8 mmtm -72.19 -47.41 50.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' LYS . 7.8 m -36.84 152.64 0.1 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 1.04 4.77 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.8 m -131.96 114.26 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -66.65 141.29 57.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -56.32 160.28 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.9 t -86.95 107.08 18.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.5 t -139.13 106.47 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' A' ' 32' ' ' GLU . 1.2 tm-20 -128.79 140.64 51.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.508 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 27.9 ttp180 -84.41 124.34 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 mt -105.61 -49.37 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 38' ' ' ARG . 1.6 t -165.47 153.52 11.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' SER . 17.3 mm-40 -34.72 109.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.86 26.53 49.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 15.8 ttt85 -144.77 124.36 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.352 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.508 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 48.3 m-85 -146.02 144.12 29.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -82.95 96.86 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.42 112.98 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.72 -107.95 1.99 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -124.25 25.8 7.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -143.77 158.44 43.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.2 mm -107.43 117.63 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.0 mt -121.08 164.53 16.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.418 ' CZ ' ' NH1' ' A' ' 38' ' ' ARG . 83.6 m-85 -107.42 99.73 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 62.1 mt -83.66 120.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -114.33 167.7 10.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.45 ' HE1' ' CB ' ' A' ' 13' ' ' ALA . 5.8 ttt -128.85 120.24 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.8 mt -83.9 113.11 20.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 50.51 36.89 14.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 44.46 34.88 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -130.12 -35.71 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -117.18 140.54 49.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.46 HG13 ' CB ' ' A' ' 67' ' ' PHE . 41.3 t -111.71 112.77 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.1 mmm -120.89 165.6 14.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.531 ' C ' ' CE3' ' A' ' 64' ' ' TRP . 3.4 m -127.22 156.78 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.568 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -93.42 112.36 24.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 63' ' ' GLY . 15.6 m -109.65 -176.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -89.6 51.79 3.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.4 36.69 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.403 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . 129.06 -162.83 22.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 34.0 m95 -135.39 140.72 45.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.729 0.299 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -126.65 176.39 7.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 69' ' ' GLY . 65.8 p -79.11 121.71 25.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.132 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CB ' HG13 ' A' ' 56' ' ' VAL . 31.4 t80 -41.52 -53.39 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.97 -29.35 65.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -78.44 -38.12 25.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.46 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.4 t80 -68.32 -32.57 72.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 0.0 110.939 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.9 tp -71.44 -49.7 38.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -53.67 -37.2 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 21.6 mtmt -53.6 -57.53 10.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -70.69 -55.28 9.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.36 116.18 13.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -46.73 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.8 p -57.73 -23.16 50.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -83.06 -42.86 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.05 -30.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.22 -49.79 70.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.54 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -46.61 -55.18 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.54 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 12.4 t0 -58.78 -44.8 90.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.4 -46.44 83.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.98 -44.0 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -59.97 -47.28 86.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -61.58 -64.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.1 mt -44.86 -49.66 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.409 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 61.0 p -59.15 -34.21 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -103.85 31.96 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -174.55 105.11 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HG2' ' NH1' ' A' ' 78' ' ' ARG . 53.6 Cg_endo -69.78 144.17 75.95 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.327 0.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.65 14.92 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 16.7 t -53.56 127.7 26.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -78.63 -40.96 32.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -44.55 152.63 0.51 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -1.35 8.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.8 m -134.9 95.87 3.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -54.27 165.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -71.57 168.12 18.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 t -100.56 110.89 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.9 t -136.92 109.78 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.59 143.88 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.55 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -91.15 119.4 31.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.2 mt -104.44 -50.46 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -143.48 171.94 13.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -38.91 -50.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.14 40.34 2.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 26.7 ttt180 -139.68 133.29 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 61.8 m-85 -150.24 159.09 44.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 ttm-85 -95.5 96.34 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -92.67 110.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.73 -110.74 3.61 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -123.94 26.25 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -144.76 155.71 43.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.6 mm -101.51 120.41 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 mt -125.51 155.77 40.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -93.84 100.3 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.4 mt -93.11 117.5 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.537 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 10.7 ptm180 -113.82 169.73 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.3 ttt -126.91 117.51 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.414 HD13 ' CG ' ' A' ' 57' ' ' MET . 10.3 mt -74.07 103.81 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 56.56 34.32 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 48.92 39.69 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -131.45 -37.9 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -119.84 136.69 54.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.46 HG11 ' CB ' ' A' ' 67' ' ' PHE . 95.3 t -104.55 103.21 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.414 ' CG ' HD13 ' A' ' 51' ' ' LEU . 12.2 mmm -110.83 165.96 11.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.529 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 14.5 m -126.53 165.51 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -100.5 111.86 24.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.47 ' O ' ' C ' ' A' ' 61' ' ' GLY . 34.4 m -142.38 123.86 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . 32.98 80.94 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . 33.66 46.9 0.43 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.65 157.03 27.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.537 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 98.8 m95 -123.36 122.8 39.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -123.54 170.42 10.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 69' ' ' GLY . 70.4 p -75.33 113.84 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CB ' HG11 ' A' ' 56' ' ' VAL . 33.1 t80 -36.23 -48.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.6 78.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -57.81 -44.66 94.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.4 t80 -67.53 -37.8 83.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.958 0.409 . . . . 0.0 110.935 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 tp -64.14 -53.99 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -52.74 -39.64 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -60.39 -63.54 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.35 -44.85 76.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.419 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.0 t0 -74.15 118.89 73.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.8 p -54.51 -38.64 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.419 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 92.0 mtt-85 -60.85 -48.23 82.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.2 mtp -39.74 -36.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.7 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.871 0.367 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tp -56.97 -58.9 6.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 0.8 OUTLIER -49.11 -40.2 31.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.831 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -67.82 -41.68 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.37 -27.8 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.18 -30.36 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -81.72 -40.72 22.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.527 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.3 OUTLIER -63.08 -51.91 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.527 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 92.0 mt -58.06 -37.46 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.429 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 73.9 p -76.13 -21.73 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.43 26.19 10.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 5.7 t0 -173.06 105.0 0.32 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.78 145.77 80.39 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.324 0.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.26 15.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -48.75 103.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -62.7 -37.67 87.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 m -47.69 153.01 1.14 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 3.67 2.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.378 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.6 m -129.82 90.81 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HE3' ' N ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -56.12 113.58 1.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.506 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 2.4 t80 -35.52 153.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.6 t -87.67 108.36 19.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -138.11 105.91 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -134.92 142.77 46.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.559 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 35.7 ttp180 -90.39 128.79 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.9 mt -103.58 -46.93 4.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.06 168.12 28.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -55.12 91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.44 34.88 3.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.525 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.463 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 16.3 ttp180 -159.28 127.23 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 15.4 m-85 -144.03 150.66 38.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -87.11 112.67 22.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.1 t -116.1 105.35 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.05 56.84 22.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 56.82 38.97 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -143.38 152.28 41.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.24 104.78 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.7 mt -113.7 150.4 33.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -99.17 102.23 13.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 62.1 mt -93.24 124.0 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -111.9 172.61 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.8 ttt -129.71 109.12 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.3 mt -70.92 115.21 9.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 47.96 30.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 53.17 35.37 19.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -128.09 -42.23 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -114.39 145.69 41.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.18 106.64 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.8 mmm -112.37 165.92 11.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 m -126.35 160.59 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 11.8 tpt180 -99.53 110.29 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.4 m -122.68 81.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.58 -94.52 0.75 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.556 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -129.05 45.05 1.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.2 154.24 24.01 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.462 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.568 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 90.5 m95 -117.34 128.04 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -125.29 170.49 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.9 p -74.89 117.12 16.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -38.86 -60.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.86 -53.77 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.98 -49.94 28.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.2 t80 -59.47 -23.89 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.925 0.393 . . . . 0.0 110.921 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.05 -33.58 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mt -71.5 -51.96 20.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -47.5 -42.67 23.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -82.99 -50.21 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.424 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.8 t0 -76.15 119.27 76.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.722 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -51.03 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.3 p -55.72 -20.57 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.429 ' NH2' ' O ' ' A' ' 18' ' ' SER . 55.3 mtt-85 -84.3 -49.8 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.2 mmt -54.35 -32.41 56.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 9' ' ' LEU . 4.3 mm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.5 tp -42.17 -59.22 1.85 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -49.99 -56.3 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -40.76 -44.57 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.82 -60.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.5 t -46.78 -26.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.19 -42.33 19.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.535 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 3.4 ptm180 -67.89 -50.29 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.535 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 26.0 mt -55.01 -39.4 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.442 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 40.5 p -68.19 -29.37 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -106.59 31.38 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -174.95 104.98 0.26 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.81 77.68 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.341 0.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.72 18.09 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.281 . . . . 0.0 112.291 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 t -56.0 115.13 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.7 mmtp -67.89 -47.61 68.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.4 m -37.8 152.66 0.14 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.33 3.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.8 m -141.45 111.29 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -71.06 154.57 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -60.63 162.23 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -86.39 107.21 17.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -133.83 114.73 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -131.65 143.47 50.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 40.0 ttp180 -77.93 109.83 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -87.75 -47.59 8.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -167.32 178.59 5.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -39.69 -45.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.97 36.86 2.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.599 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 5.9 ttp180 -137.63 145.05 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 38' ' ' ARG . 88.6 m-85 -161.67 133.72 5.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -79.07 118.55 21.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.9 t -125.63 121.88 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.08 46.09 42.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 63.24 38.11 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -141.66 152.15 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mm -107.95 99.93 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.5 mt -112.89 148.62 34.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -96.14 101.51 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 65.2 mt -84.45 122.54 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.4 mtp-105 -119.12 151.61 37.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.0 ttt -116.27 121.6 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 mt -84.67 109.48 18.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.432 ' C ' ' CG ' ' A' ' 53' ' ' ASN . 39.9 m-70 53.08 35.56 19.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' CG ' ' C ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER 46.88 30.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -120.46 -33.96 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -120.28 149.73 41.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.431 HG11 ' CB ' ' A' ' 67' ' ' PHE . 60.1 t -121.45 96.84 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.5 mmm -105.94 164.74 11.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.456 ' C ' ' CE3' ' A' ' 64' ' ' TRP . 16.1 m -128.16 154.25 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.57 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 6.9 tmm_? -87.11 100.56 12.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.47 ' O ' ' C ' ' A' ' 61' ' ' GLY . 98.5 t -118.15 118.55 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -30.95 108.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.12 -22.29 8.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.517 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 168.36 -150.61 16.54 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 52.1 m95 -137.54 128.81 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.296 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.72 173.19 6.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' GLY . 69.8 p -80.63 119.6 23.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.431 ' CB ' HG11 ' A' ' 56' ' ' VAL . 28.5 t80 -40.86 -50.95 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.88 -32.0 69.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -76.23 -35.97 41.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.4 t80 -71.71 -33.18 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.942 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.0 tp -71.09 -53.7 13.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.69 -35.76 68.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -54.72 -50.78 67.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -76.94 -48.23 18.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.429 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.4 t0 -65.67 118.17 48.68 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.39 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.378 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.6 p -55.03 -35.15 64.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 18' ' ' SER . 68.9 mtt-85 -63.31 -46.41 86.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 80' ' ' LEU . 9.6 mmt -40.86 -36.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 79' ' ' MET . 15.3 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.838 0.351 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.8 tp -45.69 -56.51 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -52.32 -53.47 43.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -46.37 -43.04 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.5 -66.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 67' ' ' PHE . 94.4 t -41.23 -51.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -59.27 -47.49 85.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 -60.73 -35.12 75.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.0 mt -70.47 -48.78 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.3 p -60.43 -35.5 75.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -88.58 -24.8 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.98 114.34 10.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HG2' ' NH1' ' A' ' 78' ' ' ARG . 54.2 Cg_endo -69.79 141.48 66.08 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.342 0.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.18 27.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.12 114.73 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' CYS . 1.7 mptt -69.47 -48.9 59.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 3.9 m -37.84 153.3 0.13 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.875 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 3.29 2.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.3 m -125.41 86.55 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 tppp? -54.94 132.88 47.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.433 ' CE1' HG13 ' A' ' 41' ' ' VAL . 1.9 t80 -64.61 144.89 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.97 109.33 20.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.1 t -136.42 105.79 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -135.2 156.24 49.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.567 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 14.6 ttm180 -82.0 134.7 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 45' ' ' ILE . 13.2 mt -118.15 -47.0 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -141.44 173.42 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -39.45 -50.73 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.63 39.03 2.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.59 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 22.3 ttp180 -133.87 141.0 47.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 19.9 m-85 -150.94 144.07 24.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -79.99 120.66 24.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.433 HG13 ' CE1' ' A' ' 29' ' ' PHE . 50.3 t -121.51 88.71 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 61.98 78.33 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 16.9 pt-20 43.85 33.26 0.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 110.954 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.42 145.88 37.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 34' ' ' LEU . 51.6 mm -110.16 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.7 mt -111.5 158.24 19.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.08 98.07 8.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.3 mt -90.26 128.33 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -119.11 172.84 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.7 ttt -134.47 117.91 16.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 mt -84.61 112.83 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 48.04 38.42 9.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 44.1 37.74 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -131.66 -33.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -120.98 142.33 49.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.8 t -116.84 103.08 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mtt -109.27 163.22 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 m -129.33 157.99 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.515 ' HD3' ' CE2' ' A' ' 64' ' ' TRP . 10.6 tpt180 -97.94 102.44 14.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.3 m -87.52 -25.17 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.05 -41.23 1.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -126.6 35.72 2.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.48 145.77 4.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.515 ' CE2' ' HD3' ' A' ' 59' ' ' ARG . 61.1 m95 -92.66 118.69 31.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.727 0.299 . . . . 0.0 110.938 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.422 ' CD ' ' HB2' ' A' ' 70' ' ' TYR . 10.7 pt-20 -110.42 166.48 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 69' ' ' GLY . 32.2 p -74.57 121.6 21.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.189 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.569 ' CE2' HG11 ' A' ' 14' ' ' VAL . 22.8 t80 -38.64 -54.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.77 -38.28 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -65.44 -45.81 88.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.505 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 1.9 t80 -67.61 -35.88 79.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.898 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.3 tp -72.63 -51.99 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 pp -61.81 -38.72 89.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -53.0 -50.62 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -77.25 -43.03 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -69.9 116.4 43.49 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -43.8 2.52 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.716 2.278 . . . . 0.0 112.369 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.8 p -60.42 -28.4 68.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.421 ' NH1' ' HG2' ' A' ' 21' ' ' PRO . 95.1 mtt-85 -75.99 -50.36 15.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.4 mmm -48.68 -27.4 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.6 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.466 ' CG ' ' HB2' ' A' ' 53' ' ' ASN . 9.3 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 tp -55.98 -56.93 14.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -39.28 -58.62 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -42.64 -43.91 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.39 -70.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.8 t -41.32 -50.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -58.7 -49.9 75.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -57.55 -39.84 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.3 mt -70.0 -47.4 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.5 p -60.48 -33.99 73.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -90.1 -24.08 21.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -136.63 112.99 9.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.637 0.732 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HG2' ' NH1' ' A' ' 78' ' ' ARG . 54.0 Cg_endo -69.74 142.08 68.55 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.337 -0.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.86 31.66 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.92 115.39 4.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' CYS . 27.2 mmtp -63.99 -49.75 71.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.3 m -37.2 147.6 0.22 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.03 3.04 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.264 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.9 m -131.57 108.12 9.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.04 136.43 56.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -52.33 164.15 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -92.24 110.41 21.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.5 t -138.89 105.8 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -137.2 132.49 33.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -69.97 137.01 51.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 45' ' ' ILE . 18.4 mt -113.02 -46.46 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -154.12 177.06 11.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -56.87 98.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.2 34.26 9.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.442 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 40.3 ttp180 -147.06 131.4 17.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 15.2 m-85 -141.74 149.72 40.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -87.31 107.77 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.2 t -101.77 110.22 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.33 -106.56 0.96 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -123.89 29.26 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.841 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -144.86 153.19 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 34' ' ' LEU . 46.1 mm -104.43 122.93 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 mt -134.23 158.46 43.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.414 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 72.6 m-85 -101.44 106.79 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.5 mt -95.39 129.53 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.554 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 74.6 mtt-85 -126.47 145.94 50.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.491 ' HE2' ' N ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -106.43 125.22 50.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 5.3 mp -89.85 107.09 18.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 49.88 35.23 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.466 ' HB2' ' CG ' ' A' ' 9' ' ' LEU . 13.3 t-20 46.44 37.6 4.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 40.8 tttp -129.1 -38.28 1.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -124.16 122.61 38.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG22 ' CE ' ' A' ' 50' ' ' MET . 91.6 t -97.87 108.49 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.47 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 5.2 mtp -114.69 166.5 11.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 m -132.9 160.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.561 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 9.4 tpt180 -95.18 106.26 18.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.421 HG11 ' CD ' ' A' ' 65' ' ' GLU . 18.4 m -111.47 78.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.21 -51.05 3.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.95 -33.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.48 -177.84 51.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.561 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 93.9 m95 -136.84 113.45 10.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.421 ' CD ' HG11 ' A' ' 60' ' ' VAL . 8.3 pt-20 -112.37 169.86 8.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' GLY . 70.1 p -74.57 118.5 17.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -38.06 -53.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.06 -37.37 64.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -64.62 -41.18 97.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.463 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.4 t80 -71.82 -34.47 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.928 0.394 . . . . 0.0 110.94 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -70.77 -36.25 72.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.449 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -63.34 -43.57 97.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.432 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 6.3 mtpm? -47.61 -53.31 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -76.85 -50.45 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.418 ' OD2' ' NE ' ' A' ' 78' ' ' ARG . 9.4 t0 -61.22 116.95 22.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.248 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.7 p -55.77 -27.41 50.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 80' ' ' LEU . 95.4 mtt-85 -80.17 -41.38 25.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 14.8 mtt -39.98 -25.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 78' ' ' ARG . 20.7 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 9' ' ' LEU . 4.5 mm? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.864 0.364 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.6 tp -42.97 -45.13 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -53.18 -55.27 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -46.3 -49.14 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.7 -61.5 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -44.76 -47.8 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -57.76 -48.09 80.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 19' ' ' GLU . 87.7 mtm180 -62.12 -63.07 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.1 mt -43.3 -44.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.2 p -67.52 -31.52 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ARG . 12.4 mt-10 -105.76 25.04 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -169.95 104.99 0.45 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 146.25 81.83 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.3 0.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 129.58 17.78 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.8 t -54.11 113.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.5 mmtp -61.27 -49.52 76.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' LYS . 8.8 m -36.72 152.07 0.11 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 0.92 4.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.312 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.5 m -140.78 108.7 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.39 167.47 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -72.49 174.29 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.13 107.18 19.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.8 t -137.84 107.5 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.12 122.4 28.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.518 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 10.9 ttm180 -69.48 111.43 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.495 HD13 ' N ' ' A' ' 40' ' ' ARG . 3.9 mp -85.54 -45.0 12.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m -171.1 -178.02 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -44.23 115.69 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.56 42.75 99.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -147.37 124.35 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.518 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 34.0 m-85 -143.37 133.57 24.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' N ' HD13 ' A' ' 34' ' ' LEU . 30.5 ttm180 -78.33 96.67 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -93.19 116.58 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.88 -109.06 2.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -125.66 26.34 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -143.51 163.51 32.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 mm -109.22 119.76 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.4 mt -124.04 153.36 41.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -98.33 106.41 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.469 HG12 ' CG1' ' A' ' 58' ' ' VAL . 83.5 mt -93.16 113.88 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -110.89 151.95 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.9 ttt -113.24 123.44 50.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.3 mt -76.65 111.0 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.2 m170 50.05 27.13 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 58.16 33.01 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 29.0 tttp -122.32 -41.01 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.52 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 5.3 m-70 -119.36 139.97 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -105.28 112.23 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.4 mtp -122.02 165.99 15.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.515 ' C ' ' CE3' ' A' ' 64' ' ' TRP . 3.3 m -128.63 157.06 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -96.63 103.66 15.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.426 ' CG1' ' OE2' ' A' ' 65' ' ' GLU . 32.9 m -114.4 39.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 62' ' ' GLY . . . 67.17 -83.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.478 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . -37.2 -44.71 1.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 179.79 -150.72 9.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.515 ' CE3' ' C ' ' A' ' 58' ' ' VAL . 85.7 m95 -112.97 136.06 53.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.426 ' OE2' ' CG1' ' A' ' 60' ' ' VAL . 14.1 pt-20 -132.46 167.26 20.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' GLY . 60.0 p -74.45 117.29 16.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.442 ' CE1' HD11 ' A' ' 48' ' ' ILE . 26.3 t80 -39.75 -57.33 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.74 -32.43 30.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -69.64 -52.3 21.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.425 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.508 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.0 t80 -59.07 -26.83 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.68 -48.34 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.07 -40.76 74.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -48.44 -55.46 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -74.04 -51.83 14.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.422 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 8.8 t0 -60.13 117.62 25.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.45 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.394 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.1 p -54.53 -31.14 55.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' LEU . 87.0 mtt-85 -74.61 -47.99 29.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.94 -24.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 78' ' ' ARG . 29.0 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.8 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.86 0.362 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.4 tp -48.03 -46.21 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 12' ' ' ASP . 15.5 t0 -53.3 -66.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 11' ' ' ASP . 6.3 t70 -34.42 -42.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.07 -59.14 3.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.555 HG12 ' CE2' ' A' ' 67' ' ' PHE . 85.2 t -51.11 -48.37 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -60.97 -47.42 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -59.73 -59.49 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.4 mt -48.63 -45.24 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.2 p -64.43 -33.79 76.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -102.38 27.72 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -171.52 105.04 0.38 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 146.22 81.5 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.328 -0.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 129.93 18.38 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.8 t -50.43 119.35 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -70.52 -44.2 68.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -43.07 153.71 0.33 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.83 2.52 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.4 m -138.46 122.2 17.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 29' ' ' PHE . 10.3 tptm -77.19 151.0 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.454 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 3.3 t80 -61.77 178.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -105.2 107.18 18.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.6 t -138.12 109.87 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -136.33 119.17 16.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 33.8 ttp180 -66.87 119.4 11.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.503 HD11 ' N ' ' A' ' 40' ' ' ARG . 3.5 mp -96.69 -42.39 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.4 m -142.36 178.4 7.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -44.43 -48.51 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.24 45.16 1.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.416 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 17.8 ttp180 -142.27 134.87 28.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 33' ' ' ARG . 40.9 m-85 -145.54 134.82 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.503 ' N ' HD11 ' A' ' 34' ' ' LEU . 13.2 ttt180 -78.59 95.22 5.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' LYS . 86.7 t -100.61 136.93 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 35.16 63.17 0.55 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 14.6 pt-20 44.86 37.32 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.382 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.7 mttp -142.3 150.72 41.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.7 mm -101.44 106.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.2 mt -119.66 141.59 49.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -90.2 102.8 15.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.481 HD12 ' CE1' ' A' ' 67' ' ' PHE . 89.3 mt -90.82 130.69 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -121.02 172.85 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.3 ttt -129.17 107.38 9.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.414 HD13 ' CG ' ' A' ' 57' ' ' MET . 28.6 mt -70.66 112.87 7.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.443 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 14.8 m170 49.16 34.92 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 4.8 p-10 47.25 35.41 3.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -128.15 -38.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -116.27 149.0 39.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -117.58 100.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.414 ' CG ' HD13 ' A' ' 51' ' ' LEU . 9.5 mmm -108.89 165.79 11.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.543 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 4.7 m -122.77 164.3 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.552 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -108.26 107.87 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 61' ' ' GLY . 10.2 m -107.05 -176.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -35.06 -54.46 0.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.449 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -152.28 86.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.38 176.77 14.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.512 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.552 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 61.7 m95 -133.44 126.11 30.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -120.42 171.55 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' GLY . 49.6 p -75.5 117.1 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.555 ' CE2' HG12 ' A' ' 14' ' ' VAL . 26.3 t80 -37.24 -44.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.82 92.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -61.08 -40.78 99.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.548 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 4.2 t80 -66.07 -34.27 77.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.892 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.456 HD23 ' NE ' ' A' ' 78' ' ' ARG . 11.8 tp -70.3 -45.93 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -55.48 -39.69 70.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.461 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 70.4 mttt -54.62 -59.12 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -65.64 -50.18 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.429 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 7.6 t0 -70.48 118.64 66.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.724 2.283 . . . . 0.0 112.318 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.8 p -55.47 -21.91 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.456 ' NE ' HD23 ' A' ' 71' ' ' LEU . 87.0 mtt-85 -78.8 -34.32 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.7 mmt -50.57 -17.71 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.6 tp -81.42 -44.18 17.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -52.92 -46.27 67.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -46.81 -47.8 20.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.44 -52.29 58.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.559 HG13 ' CE2' ' A' ' 67' ' ' PHE . 98.0 t -51.96 -49.73 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -67.26 -45.2 77.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 6.9 mtp-105 -57.81 -40.01 78.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.5 mt -69.45 -50.11 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.3 p -61.13 -33.27 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -87.2 -27.51 22.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -134.53 114.92 12.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 140.94 63.54 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.351 0.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 128.27 15.73 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.8 t -57.42 115.38 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' CYS . 30.7 mmtp -62.81 -50.37 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.5 m -36.56 152.49 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.08 6.17 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.306 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.0 m -142.83 105.92 4.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -62.28 160.54 12.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.93 166.17 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 40' ' ' ARG . 3.3 t -84.24 110.04 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.3 t -135.35 105.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -126.0 120.73 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 27.4 ttm180 -64.08 126.88 29.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.7 mt -112.1 -45.86 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.2 m -154.96 175.67 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -40.3 -51.91 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.35 41.86 1.81 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.515 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 6.8 ttt180 -144.61 135.02 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.526 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 30.2 m-85 -149.54 159.72 44.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' CYS . 25.5 ttt180 -87.99 111.77 21.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.5 t -115.54 127.03 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.72 53.88 2.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 55.99 37.88 29.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -142.43 147.2 35.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.1 mm -97.7 101.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.2 mt -117.66 141.51 48.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -84.14 120.7 26.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -107.71 117.54 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -109.08 172.45 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.0 ttt -128.06 121.02 28.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 mt -79.43 107.35 12.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 51.21 32.72 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m120 53.28 35.48 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 22.5 tttp -125.06 -41.94 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.553 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 2.8 m-70 -121.71 150.19 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.5 t -115.93 111.96 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.9 mmm -112.32 165.11 12.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 4.6 m -125.9 151.87 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.562 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -95.91 106.39 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 61' ' ' GLY . 26.1 m -141.95 132.96 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 62' ' ' GLY . . . 33.57 78.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . 30.11 41.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.561 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . -151.46 135.51 5.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.427 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 85.8 m95 -110.88 122.3 47.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -125.83 172.87 9.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 69' ' ' GLY . 71.9 p -74.82 118.49 17.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.559 ' CE2' HG13 ' A' ' 14' ' ' VAL . 23.5 t80 -36.65 -56.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.66 62.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -66.14 -34.73 89.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.494 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 8.5 t80 -78.95 -24.01 44.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 tp -84.44 -42.75 15.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.467 ' CD1' ' HE3' ' A' ' 79' ' ' MET . 0.5 OUTLIER -69.49 -41.6 75.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' CD ' ' HA ' ' A' ' 70' ' ' TYR . 12.4 ptmt -59.88 -37.36 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -80.15 -48.7 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.438 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 2.2 t70 -72.1 129.76 87.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -55.57 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.305 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.4 p -52.96 -27.25 18.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.438 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 84.2 mtt-85 -75.19 -42.84 54.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.467 ' HE3' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -46.28 -27.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.88 0.371 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.7 tp -55.36 -60.08 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -39.3 -54.44 1.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -56.64 -53.0 62.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -23.26 63.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -81.4 -32.33 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.187 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -79.88 -40.94 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.506 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 11.4 ptm180 -55.75 -47.33 77.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.506 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 60.7 mt -61.51 -47.02 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.0 p -64.13 -25.25 68.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -107.15 26.05 10.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -174.9 105.01 0.26 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 146.55 82.51 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.314 -0.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 128.96 16.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 39.4 t -51.56 109.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -61.28 -43.99 97.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -42.36 152.95 0.32 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.67 2.65 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.329 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.1 m -143.61 110.68 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.96 153.71 39.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -60.38 171.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 t -100.05 108.66 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.0 t -134.09 106.21 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -122.66 141.48 51.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 58.7 ttt-85 -88.77 126.7 35.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.456 ' CD1' HD13 ' A' ' 45' ' ' ILE . 19.7 mt -103.59 -48.88 3.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.7 m -164.7 -179.76 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -58.05 95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.44 39.31 4.78 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.613 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.4 tpt180 -159.14 129.82 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.823 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 18.1 m-85 -151.83 151.39 31.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' CZ ' ' HA ' ' A' ' 43' ' ' GLU . 15.2 ttt85 -89.91 104.44 17.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.9 t -103.25 110.22 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.8 55.47 27.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' HA ' ' CZ ' ' A' ' 40' ' ' ARG . 39.7 mt-10 56.98 36.84 28.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 110.868 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -143.5 143.28 31.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.456 HD13 ' CD1' ' A' ' 34' ' ' LEU . 38.3 mm -97.88 103.91 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.9 mt -118.63 137.01 53.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -77.87 121.95 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.0 mt -113.62 123.09 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 6.3 ptm85 -114.92 172.67 6.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.3 ttt -131.14 124.54 30.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -88.92 110.07 20.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 53.13 33.51 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 48.96 37.49 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -130.2 -38.93 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -118.02 143.01 46.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.2 t -114.24 100.57 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.4 mtt -102.24 165.82 10.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.585 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 14.2 m -127.96 162.1 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.56 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 12.3 tpt180 -105.0 104.31 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.428 HG21 ' CD ' ' A' ' 65' ' ' GLU . 30.1 m -122.7 158.58 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.52 100.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.31 -40.79 1.51 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.61 -159.41 32.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 73.7 m95 -105.98 142.02 36.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.691 0.281 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' CD ' HG21 ' A' ' 60' ' ' VAL . 6.5 pt-20 -137.63 170.41 16.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 69' ' ' GLY . 59.7 p -75.76 121.21 22.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -41.63 -48.57 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.25 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -69.41 -47.09 53.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 1.7 t80 -62.57 -33.87 75.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.929 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 tp -69.79 -47.2 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -62.06 -38.17 87.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -53.75 -52.64 59.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -74.68 -52.16 12.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.423 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 8.6 t0 -61.54 117.43 27.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.712 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -47.75 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.344 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.7 p -57.22 -35.61 69.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 80.4 mtt-85 -64.04 -46.68 83.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 mmt -39.86 -29.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.862 0.363 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.3 tp -42.44 -68.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -41.42 -63.47 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.4 -58.06 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.02 -56.97 7.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.55 HG13 ' CE2' ' A' ' 67' ' ' PHE . 86.9 t -46.64 -38.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -67.94 -46.24 72.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -47.27 -58.92 3.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.4 mt -54.39 -44.39 66.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 p -65.17 -25.58 67.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -110.4 25.66 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -175.15 104.99 0.26 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.407 ' O ' ' NH1' ' A' ' 78' ' ' ARG . 53.7 Cg_endo -69.79 146.59 82.69 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.65 16.35 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.625 2.217 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.2 t -50.72 111.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.4 mmtm -58.86 -51.98 67.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.4 m -36.41 153.13 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -0.21 6.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.1 t -128.79 139.37 52.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.91 151.24 21.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.73 169.56 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' O ' ' A' ' 40' ' ' ARG . 1.8 t -95.21 109.29 21.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.8 t -139.18 106.12 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -138.35 136.85 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -77.28 122.37 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.4 mt -96.97 -49.0 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.6 m -158.92 178.24 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -50.04 111.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.12 38.35 73.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -147.29 126.32 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -140.01 144.93 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 30' ' ' CYS . 18.5 ttp180 -83.23 102.83 12.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.2 t -99.82 115.97 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.31 -114.16 5.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -119.18 28.27 8.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -144.58 161.05 40.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.3 mm -107.71 126.56 64.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.4 mt -133.35 166.09 23.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -109.66 99.46 8.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.433 HG12 ' CG1' ' A' ' 58' ' ' VAL . 88.6 mt -89.47 129.19 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -129.93 167.14 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.8 ttt -117.03 95.9 5.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -67.83 117.08 9.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 60.39 27.86 17.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.5 m120 41.97 29.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -127.06 -33.46 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.463 ' HB2' ' CD1' ' A' ' 51' ' ' LEU . 98.4 m-70 -121.51 135.89 54.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.6 t -104.74 103.72 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.452 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . 5.5 mtt -111.13 165.89 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.592 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 4.0 m -123.01 162.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.568 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -103.83 101.89 11.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 4.4 m -101.92 40.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.43 -80.11 1.45 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.0 60.66 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.9 165.35 13.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.534 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.592 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 62.9 m95 -135.99 121.96 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -118.6 171.08 8.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 69' ' ' GLY . 43.6 p -75.37 120.41 20.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.55 ' CE2' HG13 ' A' ' 14' ' ' VAL . 40.2 t80 -38.12 -46.9 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.97 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -68.79 -35.8 80.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.9 t80 -72.15 -35.93 69.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 0.0 110.945 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.16 -50.14 43.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -39.12 72.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -51.16 -54.31 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -72.67 -53.94 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.426 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.5 t0 -57.17 118.21 22.9 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -47.5 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.0 p -57.72 -35.64 70.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.426 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 68.3 mtt-85 -66.42 -42.67 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.6 mtt -40.42 -29.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.87 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' LEU . 9.0 mp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 50' ' ' MET . 4.6 tp -37.13 -61.31 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.509 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -41.92 -53.42 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.509 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 7.1 t70 -53.65 -49.38 68.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HA ' ' CD ' ' A' ' 16' ' ' ARG . . . -66.42 -22.23 66.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -82.96 -35.38 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -76.06 -38.1 57.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.484 ' CD ' ' HA ' ' A' ' 13' ' ' ALA . 25.8 ptt180 -56.74 -47.67 79.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 61.0 mt -61.81 -50.04 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 11.0 p -59.72 -31.95 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.39 -25.11 22.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.2 t70 -136.08 114.12 10.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 140.54 61.29 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.349 0.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 132.81 24.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 15.7 t -58.64 116.04 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 25' ' ' CYS . 41.9 mmtm -65.66 -50.16 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.4 m -35.05 152.65 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.98 3.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.6 m -137.46 127.84 26.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.06 152.27 27.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -64.28 168.9 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.48 107.38 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.1 t -137.42 105.72 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -125.18 148.46 48.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -86.3 121.29 28.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 45' ' ' ILE . 19.0 mt -104.34 -47.58 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -148.76 176.36 10.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -41.19 -50.47 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.02 40.31 2.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.48 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 8.7 ttm180 -138.48 136.13 35.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 35.7 m-85 -148.21 149.66 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -89.17 103.9 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -109.34 125.75 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.19 52.78 6.94 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 56.52 41.32 28.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -143.87 151.72 40.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.45 ' CD1' HD12 ' A' ' 34' ' ' LEU . 27.3 mm -104.76 106.43 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 mt -123.63 152.79 41.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -100.17 103.09 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.6 mt -91.41 133.75 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 11.7 ptp180 -124.38 153.12 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.478 ' HE3' ' CA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -116.42 117.52 30.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.23 127.39 37.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.454 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 11.2 m-70 47.08 29.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 3.2 p-10 46.8 33.13 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.518 ' CG ' ' CD2' ' A' ' 55' ' ' HIS . 2.4 ptmm? -135.03 -38.38 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.518 ' CD2' ' CG ' ' A' ' 54' ' ' LYS . 33.6 m-70 -103.23 124.62 48.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.446 HG11 ' CB ' ' A' ' 67' ' ' PHE . 93.2 t -107.79 99.64 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.4 mmm -110.88 166.22 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.428 ' C ' ' CE3' ' A' ' 64' ' ' TRP . 8.8 m -127.51 151.94 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.54 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 3.2 tmm_? -92.89 115.56 28.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.408 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 17.5 m -125.12 52.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.3 -105.29 2.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.09 50.12 0.82 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -180.0 146.74 7.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.567 ' CZ3' ' HG2' ' A' ' 49' ' ' ARG . 94.0 m95 -117.7 129.3 55.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -127.66 164.75 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 69' ' ' GLY . 39.5 p -75.37 123.25 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.446 ' CB ' HG11 ' A' ' 56' ' ' VAL . 23.4 t80 -38.46 -48.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.41 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -61.34 -43.36 99.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.502 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 6.9 t80 -72.98 -24.5 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.932 0.396 . . . . 0.0 110.934 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.8 tp -85.25 -33.07 22.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -73.16 -38.72 66.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -59.83 -41.93 92.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -80.86 -47.81 13.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.423 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.9 t0 -70.67 119.21 71.37 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.601 0.715 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.41 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 54.1 Cg_endo -69.73 -47.08 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.5 p -58.58 -32.11 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 87.9 mtt-85 -66.89 -45.89 76.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.0 ttt -45.58 -43.73 12.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 79' ' ' MET . 17.7 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 24.4 tp -43.94 -57.83 3.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.58 -58.43 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.27 -40.99 1.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.85 -53.94 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -49.34 -51.03 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -55.12 -47.65 74.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -61.72 -57.46 11.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 mt -47.35 -47.74 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.435 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 62.5 p -67.47 -28.86 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -110.23 29.23 7.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -175.08 105.01 0.26 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.0 78.27 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.356 -0.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.46 17.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.9 t -55.57 125.0 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' CYS . 55.7 mmtt -78.05 -46.97 19.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.6 m -37.51 153.23 0.12 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 3.92 2.52 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.5 m -131.21 119.12 21.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -76.2 150.21 37.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -66.49 158.49 29.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.9 t -89.34 106.91 18.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -136.36 105.25 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -128.17 133.85 48.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -81.15 129.3 34.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.446 ' CD1' HD11 ' A' ' 45' ' ' ILE . 15.5 mt -114.44 -50.72 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.7 m -149.54 174.99 11.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.12 90.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.28 -33.04 6.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.461 ' CZ ' HG22 ' A' ' 45' ' ' ILE . 17.6 ttt180 -79.42 133.59 36.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.822 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -148.43 147.6 29.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -85.44 107.86 17.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.8 t -116.17 121.87 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 49.93 59.31 7.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 19.5 pt-20 46.87 38.73 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -144.76 147.75 33.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.461 HG22 ' CZ ' ' A' ' 38' ' ' ARG . 42.0 mm -97.51 115.77 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.0 mt -127.2 142.45 51.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -89.21 97.99 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.5 mt -86.79 133.16 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -119.42 172.42 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 10' ' ' LEU . 3.8 ttt -134.22 103.41 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.62 114.62 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 45.75 34.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m120 48.07 36.99 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -126.77 -37.89 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -120.04 149.35 42.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.408 HG11 ' CB ' ' A' ' 67' ' ' PHE . 34.5 t -115.62 115.86 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.4 mmm -125.39 156.1 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.14 151.05 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -88.54 134.06 33.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 62' ' ' GLY . 33.4 m -146.76 130.81 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . 34.04 -91.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 60' ' ' VAL . . . -135.42 52.22 0.8 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -172.92 176.78 45.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.567 ' CZ2' ' HB2' ' A' ' 59' ' ' ARG . 65.7 m95 -137.34 124.4 21.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.769 0.318 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -112.3 -173.95 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 67' ' ' PHE . 38.9 p -94.53 111.46 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' THR . 32.0 t80 -35.88 -56.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.99 -50.35 61.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.15 -39.36 97.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.3 t80 -64.62 -31.1 72.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.943 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.449 HD23 ' NE ' ' A' ' 78' ' ' ARG . 7.9 tp -69.92 -37.38 75.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 75' ' ' ASP . 0.6 OUTLIER -64.84 -48.6 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -47.49 -50.54 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -72.14 -57.5 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.432 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.0 t0 -69.46 119.55 71.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.74 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -52.04 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.317 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 10.0 p -53.88 -35.33 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.449 ' NE ' HD23 ' A' ' 71' ' ' LEU . 50.2 mtt-85 -64.17 -55.06 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' LEU . 5.3 mmt -39.75 -37.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' MET . 62.1 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 11' ' ' ASP . 7.0 tp -44.71 -63.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.54 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -34.56 -55.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.54 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 12.6 t0 -60.46 -47.26 86.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.487 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . . . -63.64 -23.52 67.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.2 t -81.43 -36.0 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -75.37 -40.14 58.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 7.6 ptp180 -56.47 -48.01 78.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.513 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 68.9 mt -58.46 -39.57 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.451 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 13.1 p -72.89 -21.82 60.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -111.55 24.02 13.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -174.05 105.44 0.29 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.439 ' O ' ' NH1' ' A' ' 78' ' ' ARG . 53.6 Cg_endo -69.77 144.54 76.94 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.314 0.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.05 16.95 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.234 . . . . 0.0 112.383 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.0 t -56.0 113.98 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' CYS . 12.1 mmtp -71.19 -46.41 61.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.8 m -35.7 153.55 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.88 2.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.727 2.284 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 m -140.08 121.57 15.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -76.2 162.38 28.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -75.31 174.66 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.19 107.47 19.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.6 t -137.35 105.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -130.2 154.78 47.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -95.27 128.81 42.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' CD1' HD13 ' A' ' 45' ' ' ILE . 7.0 mt -116.25 -44.36 2.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.1 m -156.0 168.94 25.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -53.81 101.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.14 -15.88 61.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -96.39 133.76 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -151.31 146.55 26.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -79.77 123.85 28.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -127.44 118.57 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.05 47.98 19.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 61.92 39.53 13.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -143.8 145.04 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.403 HD13 ' CD1' ' A' ' 34' ' ' LEU . 49.1 mm -98.04 105.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.8 mt -118.87 158.78 25.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -102.42 102.33 12.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.1 mt -89.92 114.18 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -107.54 170.71 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.8 ttt -131.34 118.22 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.49 109.48 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 54.39 30.71 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 51.85 36.66 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -128.09 -41.61 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -116.09 139.12 50.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.19 111.37 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mtp -115.34 165.91 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.2 m -127.96 155.32 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.558 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -101.21 105.21 16.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.3 m -123.1 166.69 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.11 102.35 0.41 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.46 -36.11 2.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.98 -145.49 9.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.558 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 38.9 m95 -129.31 135.6 48.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -128.13 178.15 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 69' ' ' GLY . 53.2 p -83.7 119.48 24.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.18 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -39.14 -52.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.95 67.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -73.05 -35.99 57.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.519 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.7 t80 -74.77 -26.46 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.921 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.423 HD21 ' NE ' ' A' ' 78' ' ' ARG . 13.7 tp -84.28 -43.13 15.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -66.25 -41.02 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 10.2 ptpt -62.75 -33.36 74.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.464 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 10.9 m80 -81.85 -47.61 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -77.57 127.54 82.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.719 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -54.65 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.2 p -52.5 -35.83 53.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 18' ' ' SER . 64.0 mtt-85 -62.95 -48.55 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.4 mtp -41.25 -28.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 tp -53.89 -52.14 61.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.88 -48.92 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.26 -43.8 98.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.02 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.86 -43.22 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -64.18 -45.86 86.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -65.4 -58.25 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mt -48.74 -50.5 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.6 p -57.85 -32.39 67.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -104.99 28.39 7.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -173.78 105.06 0.3 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.567 0.699 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 146.08 81.16 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.377 -0.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 131.66 21.76 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 39.7 t -56.41 107.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -64.62 -42.68 95.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.0 m -39.67 152.61 0.2 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 2.65 3.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.1 m -143.96 108.26 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -65.41 160.09 22.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -72.32 172.36 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.49 113.67 25.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.9 t -138.21 105.72 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -124.93 137.32 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.495 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 5.1 tmm_? -85.17 122.61 29.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' CD1' HD11 ' A' ' 45' ' ' ILE . 14.3 mt -108.34 -50.7 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -142.34 176.62 8.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -40.53 -57.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 48' ' ' ILE . . . -117.58 41.23 2.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.485 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 18.5 ttp180 -138.78 128.46 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.332 . . . . 0.0 110.896 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.495 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 24.9 m-85 -146.74 160.3 42.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.414 ' NH1' ' HA ' ' A' ' 43' ' ' GLU . 11.9 ttm-85 -92.99 111.76 23.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.413 HG12 ' CE1' ' A' ' 70' ' ' TYR . 97.0 t -115.01 114.12 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 51.74 52.0 36.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HA ' ' NH1' ' A' ' 40' ' ' ARG . 4.6 tt0 59.23 39.6 22.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.959 0.409 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -142.79 153.5 43.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.415 HD11 ' CD1' ' A' ' 34' ' ' LEU . 50.4 mm -105.67 107.65 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.4 mt -116.91 159.7 22.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -104.61 99.77 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.415 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 41.4 mt -93.19 135.23 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.554 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 35.1 ptt180 -131.21 165.55 23.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.7 ttt -122.66 114.35 20.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.07 105.28 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 56.56 32.89 21.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.7 m120 48.93 37.84 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -130.1 -37.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -118.79 148.07 43.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.2 t -112.96 113.55 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.3 mmm -124.41 165.7 17.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.571 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 3.8 m -130.19 164.63 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 12.4 tpt180 -104.69 108.04 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.9 m -111.87 39.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 46.06 89.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.0 -44.24 1.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.78 172.38 37.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 85.8 m95 -110.08 130.8 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -124.07 167.94 13.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 69.7 p -75.04 117.17 16.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' THR . 30.2 t80 -35.84 -54.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.35 -39.07 63.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -61.7 -45.17 96.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.2 t80 -67.22 -32.96 74.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 tp -69.32 -44.48 71.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -60.21 -40.37 89.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.974 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 31.7 mttm -49.0 -53.02 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -77.18 -48.23 18.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -66.25 116.42 33.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.561 0.696 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.09 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.354 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.6 p -54.82 -27.0 38.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -75.52 -41.42 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.9 mmt -42.35 -38.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 79' ' ' MET . 76.3 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' LEU . 19.5 tp -36.05 -57.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -41.18 -54.65 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.532 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 6.2 t70 -48.95 -53.17 20.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HA ' ' CD ' ' A' ' 16' ' ' ARG . . . -62.62 -24.63 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.07 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.7 t -79.98 -34.03 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -79.52 -44.34 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.502 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 50.1 ptt85 -51.85 -51.11 58.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.502 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 66.7 mt -56.73 -46.97 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 p -62.89 -22.22 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -111.27 25.16 12.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -174.57 105.0 0.27 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 144.45 76.64 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.297 0.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 131.05 20.43 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.393 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.5 t -58.32 120.98 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 25' ' ' CYS . 61.0 mmtt -73.72 -48.61 30.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.6 m -35.93 151.32 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 110.947 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.56 3.45 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.8 m -137.62 109.11 6.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -62.64 168.81 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -79.9 170.9 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.2 t -90.82 107.79 19.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.9 t -138.68 105.69 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -136.44 123.35 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 -73.68 132.29 42.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CD1' HD11 ' A' ' 45' ' ' ILE . 6.4 mt -110.56 -44.94 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.0 m -159.88 -175.44 5.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.69 106.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.74 30.63 31.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.54 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 17.9 ttm180 -145.6 127.59 15.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 43.3 m-85 -146.66 149.31 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -82.98 114.94 21.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' LYS . 90.7 t -116.81 127.26 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 38.67 51.02 2.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 60.67 38.62 18.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.394 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.7 mttm -141.23 154.59 45.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.442 HD11 ' CD1' ' A' ' 34' ' ' LEU . 46.4 mm -105.23 100.88 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.9 mt -114.36 154.55 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -102.29 99.63 9.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mt -92.61 121.09 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.491 ' HG3' ' N ' ' A' ' 50' ' ' MET . 3.5 ttp85 -121.32 157.51 30.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.491 ' N ' ' HG3' ' A' ' 49' ' ' ARG . 6.0 ttt -107.74 135.43 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.417 HD13 ' CG ' ' A' ' 57' ' ' MET . 14.4 mt -91.84 102.98 15.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 57.44 36.62 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 22.7 t-20 46.34 40.31 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -134.09 -34.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -123.48 149.67 44.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.5 t -118.18 103.6 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.417 ' CG ' HD13 ' A' ' 51' ' ' LEU . 6.4 mmm -113.84 165.06 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.0 m -121.7 143.06 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.572 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 2.1 tmt_? -94.05 115.51 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.1 m -116.12 21.68 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.467 ' HA2' ' CZ ' ' A' ' 59' ' ' ARG . . . 94.99 85.31 1.67 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.54 -36.87 2.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.61 144.85 15.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 44.5 m95 -126.94 136.61 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.736 0.303 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -131.81 170.34 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' GLY . 61.8 p -76.68 119.17 20.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.142 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -41.38 -51.48 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.26 -32.57 64.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -71.43 -48.12 31.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.53 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 5.4 t80 -63.11 -24.17 67.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.424 HD23 ' NE ' ' A' ' 78' ' ' ARG . 15.5 tp -84.89 -50.65 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.43 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -57.13 -33.21 67.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -68.92 -39.43 79.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 13.5 m80 -75.04 -48.14 25.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -79.99 129.16 71.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.565 0.697 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -55.9 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 p -51.95 -28.03 15.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.424 ' NE ' HD23 ' A' ' 71' ' ' LEU . 65.5 mtt-85 -71.82 -38.02 70.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 36.4 mtp -44.7 -38.28 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.7 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.23 -56.45 21.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.85 -50.18 27.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.89 -43.97 94.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.459 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . . . -67.03 -23.8 65.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -83.15 -39.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -72.86 -35.73 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 9.7 ptp180 -60.99 -46.38 90.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.52 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 73.7 mt -62.52 -42.7 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 p -70.54 -15.16 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -115.82 24.22 11.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -174.15 105.03 0.28 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.588 0.709 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 145.98 80.89 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.326 0.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 127.0 13.97 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.0 t -52.53 121.37 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' CYS . 41.6 mttt -80.78 -42.62 21.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.3 m -38.1 153.53 0.14 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.98 2.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 2.28 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.2 m -140.1 117.64 11.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 141.34 51.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -53.31 165.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.4 t -92.17 108.46 19.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.5 t -136.4 105.92 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -126.82 132.62 50.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.574 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -83.4 122.03 27.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 45' ' ' ILE . 22.0 mt -107.52 -45.91 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -144.18 174.48 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -44.87 -48.3 11.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.59 40.01 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.534 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 41.5 ttp180 -141.08 136.1 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.574 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 55.9 m-85 -154.65 152.17 29.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -84.51 127.59 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.85 119.5 45.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.84 51.97 17.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 59.16 40.24 21.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -144.16 155.69 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.461 HD11 ' CD1' ' A' ' 34' ' ' LEU . 39.3 mm -107.4 99.55 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.4 mt -110.1 147.22 34.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -94.66 103.47 15.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.426 HG12 ' CG1' ' A' ' 58' ' ' VAL . 70.1 mt -96.5 134.52 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -129.15 167.33 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.4 ttt -124.59 121.72 35.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 5.5 mp -79.01 103.59 9.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 55.27 33.14 20.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 51.06 38.85 21.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -127.38 -36.76 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -123.26 150.41 43.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.42 102.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.477 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 6.4 mtp -111.66 165.69 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 4.8 m -127.73 163.01 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.558 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -107.72 105.16 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 61' ' ' GLY . 31.2 m -129.69 139.25 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -36.16 105.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.8 -42.42 1.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 172.31 -149.99 12.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.558 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 49.8 m95 -126.8 131.31 51.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.749 0.309 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -124.57 175.49 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' GLY . 72.8 p -79.4 114.23 18.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 66' ' ' THR . 29.0 t80 -35.45 -56.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.81 -39.32 62.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -64.35 -41.29 98.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.6 t80 -68.88 -33.62 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.2 tp -72.04 -46.89 55.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.419 HD13 ' C ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -56.07 -40.27 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 36.8 mtpt -62.22 -63.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -53.63 -43.76 69.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.421 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 3.2 t0 -77.69 124.55 86.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.416 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 53.7 Cg_endo -69.72 -55.3 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.25 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.0 p -51.87 -36.48 48.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.421 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 64.8 mtt-85 -65.88 -41.73 91.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 80' ' ' LEU . 4.3 ttt -48.35 -43.07 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 79' ' ' MET . 46.1 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.429 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.7 tp -44.74 -57.64 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.23 -52.08 62.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -50.02 -47.4 53.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.42 -62.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.4 t -44.76 -45.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -64.14 -35.34 80.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -74.83 -61.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.0 mt -47.42 -38.5 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.417 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 54.5 p -71.87 -31.87 66.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -104.7 32.17 4.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -174.77 105.16 0.27 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.552 0.691 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HG2' ' NH1' ' A' ' 78' ' ' ARG . 53.7 Cg_endo -69.7 145.26 78.8 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.331 -0.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.21 22.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.619 2.213 . . . . 0.0 112.375 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.447 ' HB3' ' CD ' ' A' ' 28' ' ' LYS . 23.3 t -55.26 121.06 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' CYS . 45.1 mmtm -73.28 -46.23 51.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.7 m -36.58 152.16 0.1 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.665 0.745 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 1.82 4.08 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 m -134.93 89.6 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' CD ' ' HB3' ' A' ' 23' ' ' CYS . 20.1 tptp -50.5 139.26 16.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.63 158.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -92.12 107.44 19.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.7 t -133.17 107.05 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 4.9 tp10 -126.01 150.89 47.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 5.4 tmm_? -95.46 124.08 39.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.2 mt -108.58 -50.27 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' GLY . 2.0 m -147.36 172.34 14.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.99 78.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' SER . . . 125.64 -28.73 4.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -86.82 130.53 34.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -146.02 145.11 30.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -81.67 120.53 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.7 t -125.0 108.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.1 48.87 70.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 60.79 36.28 19.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -143.43 136.67 27.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.6 mm -89.21 111.77 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.9 mt -122.59 136.83 54.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -82.17 104.59 12.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.0 mt -92.92 121.27 43.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 13.2 ptm180 -120.26 167.93 11.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.6 mmt -116.91 143.9 45.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.2 mt -102.26 95.0 6.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.1 m170 61.19 25.48 15.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 24.6 t30 59.4 35.47 23.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.481 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 32.6 tttt -127.69 -40.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.481 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 2.1 m-70 -122.09 149.08 44.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -108.6 108.62 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 mtt -107.83 165.78 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.547 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 3.6 m -134.5 166.55 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.5 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 9.4 tpt180 -106.42 117.73 34.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 62' ' ' GLY . 31.3 m -146.29 142.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.29 95.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.452 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 60' ' ' VAL . . . 145.07 -36.39 1.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.445 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.53 -133.13 3.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.567 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 76.4 m95 -134.33 127.8 32.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.721 0.296 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -124.07 170.29 10.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 69' ' ' GLY . 49.7 p -74.48 115.59 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' THR . 26.9 t80 -35.17 -63.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.59 -36.16 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -68.14 -40.6 88.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.7 t80 -70.41 -35.85 73.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 0.0 110.934 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.49 -51.8 57.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.472 ' CD1' ' HE2' ' A' ' 79' ' ' MET . 0.6 OUTLIER -56.66 -34.64 67.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -59.35 -61.05 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -64.62 -49.38 71.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 9.5 t0 -63.16 117.01 29.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.4 p -54.42 -31.03 54.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 18' ' ' SER . 93.0 mtt-85 -71.23 -46.15 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.472 ' HE2' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -40.49 -27.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' ARG . 37.9 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.87 -62.22 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -42.06 -48.49 4.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.11 -43.08 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.94 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.546 HG12 ' CE2' ' A' ' 67' ' ' PHE . 88.2 t -41.81 -51.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -47.24 80.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 mtp85 -53.72 -46.77 70.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.9 mt -70.17 -46.48 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p -60.68 -25.58 66.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' OE1' ' NZ ' ' A' ' 28' ' ' LYS . 11.9 mm-40 -100.52 -21.35 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -134.56 114.46 12.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.562 0.696 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 140.45 60.53 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.382 0.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.406 ' CA ' ' O ' ' A' ' 19' ' ' GLU . 53.6 Cg_endo -69.79 130.75 19.85 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.1 t -54.42 120.39 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' CYS . 32.6 mmtp -67.39 -48.49 67.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LYS . 15.2 m -34.94 152.27 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.85 3.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.7 m -137.41 108.98 6.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' NZ ' ' OE1' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -64.44 139.94 58.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -49.62 173.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -97.75 109.49 22.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -138.94 107.14 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -131.42 128.85 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -74.63 128.48 35.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 mt -115.2 -45.43 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 t -154.27 170.75 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -58.43 94.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' ILE . . . 110.94 -28.11 10.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.53 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.457 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 15.5 ttp180 -90.16 137.49 32.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 61.1 m-85 -151.7 142.64 23.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -81.13 99.18 8.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.2 t -110.98 133.84 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' LYS . . . 39.95 70.49 0.35 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' GLY . 16.1 pt-20 37.55 28.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.923 0.392 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLY . 39.4 mttp -133.97 154.58 51.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.0 mm -105.77 105.27 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -118.01 151.09 38.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -99.64 99.89 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' GLY . 51.4 mt -83.15 133.23 29.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -126.01 169.05 13.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.0 ttt -127.72 120.24 27.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.2 mt -86.54 111.04 20.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 18.8 m-70 49.71 35.71 9.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 1.1 p-10 47.23 34.88 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -128.05 -34.41 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -122.27 147.11 46.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.92 102.83 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.6 mmm -108.03 165.69 11.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.502 ' C ' ' CE3' ' A' ' 64' ' ' TRP . 13.6 m -127.33 152.8 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.531 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 7.4 tpp180 -82.12 116.05 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.0 t -138.92 114.44 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 41.4 -119.76 1.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.432 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.82 42.15 2.0 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -175.52 133.98 2.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.531 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 40.6 m95 -94.16 133.91 37.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.724 0.297 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -118.47 167.57 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 69' ' ' GLY . 67.4 p -75.3 121.06 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' HG12 ' A' ' 14' ' ' VAL . 17.6 t80 -35.19 -67.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.43 -32.72 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -71.85 -36.44 61.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.3 t80 -75.82 -35.23 60.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.6 tp -69.82 -41.91 74.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.439 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -63.89 -35.61 81.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -54.26 -53.69 50.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -76.18 -43.02 44.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.23 117.52 53.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.7 p -54.37 -29.2 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -78.02 -42.74 31.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.56 -47.61 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.505 HD21 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.505 ' N ' HD21 ' A' ' 9' ' ' LEU . 5.9 tp -82.61 -36.2 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.6 -27.2 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.7 -52.9 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.52 -49.12 76.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -58.42 -47.32 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -60.36 -44.76 95.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -66.31 -60.63 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.3 mt -49.43 -50.23 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.5 p -56.11 -36.12 67.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -105.77 31.46 5.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -174.52 105.03 0.27 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 145.7 80.14 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.324 0.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 132.05 22.43 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.1 t -54.23 114.04 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.6 mttt -71.45 -46.94 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' LYS . 4.4 m -36.75 154.82 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.8 2.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.8 t -131.79 141.7 49.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.18 143.84 26.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -65.59 162.43 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.27 106.86 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.8 t -139.25 107.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 6.6 tp10 -130.82 152.26 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.429 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 18.3 ttt85 -92.42 130.69 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.424 ' CD1' HD11 ' A' ' 45' ' ' ILE . 8.6 mt -115.14 -46.75 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.6 m -145.72 177.7 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -38.99 -58.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.5 43.31 1.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.516 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 12.1 ttm180 -136.91 136.83 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.894 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 39.0 m-85 -150.54 151.77 33.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -89.11 102.11 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.7 t -110.27 130.6 63.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' GLU . . . 40.41 71.42 0.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.504 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLY . 1.6 tm-20 36.56 37.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.958 0.409 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -144.85 150.35 36.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.424 HD11 ' CD1' ' A' ' 34' ' ' LEU . 50.5 mm -101.62 112.11 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.1 mt -127.6 138.94 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -84.57 106.71 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.2 mt -95.66 120.43 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 35.2 mmm-85 -118.4 150.69 39.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.425 ' HE3' ' C ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -108.09 116.1 31.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.9 mt -74.61 108.68 7.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 46.89 31.6 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.8 t30 51.98 36.78 19.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 23.1 tttt -128.05 -41.49 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 1.6 m-70 -122.28 126.87 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.6 t -94.85 115.4 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.8 mmm -120.89 165.98 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.586 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 11.6 m -125.14 165.92 21.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -103.16 109.53 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.424 HG11 ' CD ' ' A' ' 65' ' ' GLU . 26.1 m -119.7 39.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.89 65.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.6 -32.83 2.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.428 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.81 129.22 9.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.586 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 96.0 m95 -105.64 117.53 34.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.709 0.29 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.424 ' CD ' HG11 ' A' ' 60' ' ' VAL . 10.6 pt-20 -115.5 169.63 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -74.27 119.58 18.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -45.25 -49.28 12.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.79 -28.1 54.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.15 -47.62 17.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 2.6 t80 -65.9 -26.87 67.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.98 0.419 . . . . 0.0 110.969 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.407 HD21 ' CZ ' ' A' ' 78' ' ' ARG . 13.0 tp -82.03 -38.37 25.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.53 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -71.5 -42.5 67.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 8.7 ptpt -54.61 -36.73 64.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.468 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 17.1 m80 -87.89 -50.64 6.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' OD1' ' HD2' ' A' ' 76' ' ' PRO . 12.2 t0 -63.18 117.11 30.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.408 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 54.3 Cg_endo -69.7 -34.53 14.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.26 . . . . 0.0 112.385 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.5 p -70.76 -19.78 62.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.407 ' CZ ' HD21 ' A' ' 71' ' ' LEU . 96.3 mtt-85 -87.38 -40.7 14.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mmm -49.71 -21.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -90.69 131.03 36.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 m -97.83 -51.2 4.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.25 68.38 1.02 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 p -136.85 146.26 45.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -55.16 175.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.8 106.83 1.18 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -72.26 139.82 48.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.61 -55.82 30.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 tp -54.48 -53.92 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -56.37 -43.56 79.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.14 -48.85 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' CB ' ' HE1' ' A' ' 50' ' ' MET . . . -65.03 -51.57 60.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.7 t -53.06 -48.92 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -56.15 -49.52 73.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.19 -63.64 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.7 mt -43.49 -51.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.5 p -57.72 -36.41 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -102.69 31.46 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 30.3 t70 -172.49 104.99 0.34 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.5 Cg_endo -69.75 145.47 79.47 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.332 0.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.48 17.68 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.655 2.236 . . . . 0.0 112.371 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.6 t -51.15 122.94 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' CYS . 44.8 mmtm -72.19 -47.41 50.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' LYS . 7.8 m -36.84 152.64 0.1 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 1.04 4.77 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.8 m -131.96 114.26 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -66.65 141.29 57.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -56.32 160.28 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.9 t -86.95 107.08 18.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.5 t -139.13 106.47 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' A' ' 32' ' ' GLU . 1.2 tm-20 -128.79 140.64 51.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.508 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 27.9 ttp180 -84.41 124.34 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 mt -105.61 -49.37 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 38' ' ' ARG . 1.6 t -165.47 153.52 11.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' SER . 17.3 mm-40 -34.72 109.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.86 26.53 49.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 15.8 ttt85 -144.77 124.36 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.352 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.508 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 48.3 m-85 -146.02 144.12 29.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -82.95 96.86 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.42 112.98 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.72 -107.95 1.99 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -124.25 25.8 7.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -143.77 158.44 43.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.2 mm -107.43 117.63 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.0 mt -121.08 164.53 16.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.418 ' CZ ' ' NH1' ' A' ' 38' ' ' ARG . 83.6 m-85 -107.42 99.73 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 62.1 mt -83.66 120.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -114.33 167.7 10.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.45 ' HE1' ' CB ' ' A' ' 13' ' ' ALA . 5.8 ttt -128.85 120.24 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.8 mt -83.9 113.11 20.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 50.51 36.89 14.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 44.46 34.88 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -130.12 -35.71 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -117.18 140.54 49.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.46 HG13 ' CB ' ' A' ' 67' ' ' PHE . 41.3 t -111.71 112.77 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.1 mmm -120.89 165.6 14.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.531 ' C ' ' CE3' ' A' ' 64' ' ' TRP . 3.4 m -127.22 156.78 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.568 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -93.42 112.36 24.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 63' ' ' GLY . 15.6 m -109.65 -176.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -89.6 51.79 3.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.4 36.69 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.403 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . 129.06 -162.83 22.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 34.0 m95 -135.39 140.72 45.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.729 0.299 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -126.65 176.39 7.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 69' ' ' GLY . 65.8 p -79.11 121.71 25.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.132 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CB ' HG13 ' A' ' 56' ' ' VAL . 31.4 t80 -41.52 -53.39 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.97 -29.35 65.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -78.44 -38.12 25.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.46 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.4 t80 -68.32 -32.57 72.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 0.0 110.939 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.9 tp -71.44 -49.7 38.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -53.67 -37.2 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 21.6 mtmt -53.6 -57.53 10.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -70.69 -55.28 9.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.36 116.18 13.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -46.73 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.8 p -57.73 -23.16 50.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -83.06 -42.86 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.05 -30.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp -47.1 -57.76 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -50.95 150.48 2.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.9 mm -53.74 108.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.8 m -134.25 159.66 40.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.0 mtp85 -147.79 106.16 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.4 m -142.23 167.25 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -106.62 -60.73 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.32 -143.38 9.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -139.52 117.96 12.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.851 0.357 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.5 m -104.34 99.98 9.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.0 t -152.31 141.17 14.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 118.29 5.6 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.242 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 t -38.38 152.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.67 99.75 1.04 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.89 4.1 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 94.3 p -134.46 157.74 45.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.3 p -149.5 149.11 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.476 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -107.52 136.01 48.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 m -147.74 172.95 13.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.9 136.11 4.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -99.12 42.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.84 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 m -58.63 119.94 8.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.54 -35.75 25.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 72.73 44.6 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.5 mt -85.9 -38.14 18.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.22 -49.79 70.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.54 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -46.61 -55.18 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.54 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 12.4 t0 -58.78 -44.8 90.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.4 -46.44 83.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.98 -44.0 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -59.97 -47.28 86.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -61.58 -64.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.1 mt -44.86 -49.66 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.409 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 61.0 p -59.15 -34.21 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -103.85 31.96 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -174.55 105.11 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HG2' ' NH1' ' A' ' 78' ' ' ARG . 53.6 Cg_endo -69.78 144.17 75.95 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.327 0.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.65 14.92 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 16.7 t -53.56 127.7 26.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -78.63 -40.96 32.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -44.55 152.63 0.51 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -1.35 8.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.8 m -134.9 95.87 3.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -54.27 165.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -71.57 168.12 18.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 t -100.56 110.89 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.9 t -136.92 109.78 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.59 143.88 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.55 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -91.15 119.4 31.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.2 mt -104.44 -50.46 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -143.48 171.94 13.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -38.91 -50.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.14 40.34 2.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 26.7 ttt180 -139.68 133.29 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 61.8 m-85 -150.24 159.09 44.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 ttm-85 -95.5 96.34 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -92.67 110.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.73 -110.74 3.61 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -123.94 26.25 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -144.76 155.71 43.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.6 mm -101.51 120.41 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 mt -125.51 155.77 40.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -93.84 100.3 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.4 mt -93.11 117.5 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.537 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 10.7 ptm180 -113.82 169.73 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.3 ttt -126.91 117.51 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.414 HD13 ' CG ' ' A' ' 57' ' ' MET . 10.3 mt -74.07 103.81 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 56.56 34.32 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 48.92 39.69 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -131.45 -37.9 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -119.84 136.69 54.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.46 HG11 ' CB ' ' A' ' 67' ' ' PHE . 95.3 t -104.55 103.21 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.414 ' CG ' HD13 ' A' ' 51' ' ' LEU . 12.2 mmm -110.83 165.96 11.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.529 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 14.5 m -126.53 165.51 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -100.5 111.86 24.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.47 ' O ' ' C ' ' A' ' 61' ' ' GLY . 34.4 m -142.38 123.86 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . 32.98 80.94 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . 33.66 46.9 0.43 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.65 157.03 27.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.537 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 98.8 m95 -123.36 122.8 39.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -123.54 170.42 10.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 69' ' ' GLY . 70.4 p -75.33 113.84 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CB ' HG11 ' A' ' 56' ' ' VAL . 33.1 t80 -36.23 -48.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.6 78.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -57.81 -44.66 94.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.4 t80 -67.53 -37.8 83.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.958 0.409 . . . . 0.0 110.935 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 tp -64.14 -53.99 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -52.74 -39.64 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -60.39 -63.54 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.35 -44.85 76.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.419 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.0 t0 -74.15 118.89 73.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.8 p -54.51 -38.64 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.419 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 92.0 mtt-85 -60.85 -48.23 82.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.2 mtp -39.74 -36.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.7 mt -39.55 -45.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -56.35 175.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.86 124.25 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.1 p -149.27 149.18 30.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.61 166.23 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.7 126.15 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -78.87 -59.72 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.22 -160.29 30.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.83 169.74 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.7 t -164.79 163.66 21.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.2 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.5 t -77.06 137.34 65.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 157.64 59.63 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.6 m -146.39 -176.94 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.59 79.22 0.35 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 177.51 5.47 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.372 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.2 t -62.83 154.73 29.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.7 t -113.86 -61.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.491 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 1' ' ' GLY . 34.2 m 37.76 41.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -102.57 130.45 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.2 45.38 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 p -131.13 40.83 3.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -105.49 83.39 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.45 87.03 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -161.91 145.33 12.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mp -81.5 -35.71 30.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tp -56.97 -58.9 6.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 0.8 OUTLIER -49.11 -40.2 31.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.831 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -67.82 -41.68 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.37 -27.8 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.18 -30.36 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -81.72 -40.72 22.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.527 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.3 OUTLIER -63.08 -51.91 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.527 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 92.0 mt -58.06 -37.46 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.429 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 73.9 p -76.13 -21.73 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.43 26.19 10.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 5.7 t0 -173.06 105.0 0.32 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.78 145.77 80.39 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.324 0.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.26 15.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -48.75 103.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -62.7 -37.67 87.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 m -47.69 153.01 1.14 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 3.67 2.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.378 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.6 m -129.82 90.81 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HE3' ' N ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -56.12 113.58 1.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.506 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 2.4 t80 -35.52 153.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.6 t -87.67 108.36 19.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -138.11 105.91 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -134.92 142.77 46.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.559 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 35.7 ttp180 -90.39 128.79 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.9 mt -103.58 -46.93 4.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.06 168.12 28.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -55.12 91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.44 34.88 3.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.525 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.463 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 16.3 ttp180 -159.28 127.23 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 15.4 m-85 -144.03 150.66 38.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -87.11 112.67 22.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.1 t -116.1 105.35 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.05 56.84 22.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 56.82 38.97 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -143.38 152.28 41.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.24 104.78 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.7 mt -113.7 150.4 33.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -99.17 102.23 13.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 62.1 mt -93.24 124.0 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -111.9 172.61 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.8 ttt -129.71 109.12 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.3 mt -70.92 115.21 9.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 47.96 30.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 53.17 35.37 19.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -128.09 -42.23 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -114.39 145.69 41.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.18 106.64 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.8 mmm -112.37 165.92 11.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 m -126.35 160.59 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 11.8 tpt180 -99.53 110.29 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.4 m -122.68 81.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.58 -94.52 0.75 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.556 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -129.05 45.05 1.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.2 154.24 24.01 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.462 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.568 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 90.5 m95 -117.34 128.04 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -125.29 170.49 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.9 p -74.89 117.12 16.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -38.86 -60.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.86 -53.77 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.98 -49.94 28.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.2 t80 -59.47 -23.89 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.925 0.393 . . . . 0.0 110.921 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.05 -33.58 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mt -71.5 -51.96 20.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -47.5 -42.67 23.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -82.99 -50.21 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.424 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.8 t0 -76.15 119.27 76.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.722 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -51.03 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 11.3 p -55.72 -20.57 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.429 ' NH2' ' O ' ' A' ' 18' ' ' SER . 55.3 mtt-85 -84.3 -49.8 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 81' ' ' GLN . 2.2 mmt -54.35 -32.41 56.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.3 mt -41.7 -24.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 79' ' ' MET . 7.1 pt20 -84.51 30.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 80.3 mt -150.34 138.01 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.2 t -95.41 63.62 2.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -142.72 174.58 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.2 m -137.32 147.32 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -43.35 -61.76 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.4 120.12 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? 65.61 38.0 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 t -93.34 135.71 34.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.7 p -65.75 135.46 95.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 120.81 7.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.3 p -165.49 144.14 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -139.09 73.35 0.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.43 3.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.262 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.4 t -133.56 133.73 42.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.2 t -85.22 41.75 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.81 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.496 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -67.56 -54.65 18.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -51.41 160.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.805 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.94 -171.21 37.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.441 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -83.15 42.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t 40.65 42.29 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.88 127.78 0.92 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -118.5 84.94 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 9' ' ' LEU . 4.3 mm? -69.52 -48.16 61.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.5 tp -42.17 -59.22 1.85 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -49.99 -56.3 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -40.76 -44.57 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.82 -60.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.5 t -46.78 -26.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.19 -42.33 19.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.535 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 3.4 ptm180 -67.89 -50.29 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.535 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 26.0 mt -55.01 -39.4 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.442 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 40.5 p -68.19 -29.37 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -106.59 31.38 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -174.95 104.98 0.26 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.81 77.68 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.341 0.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.72 18.09 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.281 . . . . 0.0 112.291 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 t -56.0 115.13 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.7 mmtp -67.89 -47.61 68.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.4 m -37.8 152.66 0.14 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.33 3.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.8 m -141.45 111.29 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -71.06 154.57 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -60.63 162.23 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -86.39 107.21 17.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -133.83 114.73 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -131.65 143.47 50.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 40.0 ttp180 -77.93 109.83 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -87.75 -47.59 8.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -167.32 178.59 5.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -39.69 -45.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.97 36.86 2.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.599 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 5.9 ttp180 -137.63 145.05 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 38' ' ' ARG . 88.6 m-85 -161.67 133.72 5.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -79.07 118.55 21.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.9 t -125.63 121.88 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.08 46.09 42.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 63.24 38.11 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -141.66 152.15 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mm -107.95 99.93 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.5 mt -112.89 148.62 34.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -96.14 101.51 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 65.2 mt -84.45 122.54 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.4 mtp-105 -119.12 151.61 37.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.0 ttt -116.27 121.6 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 mt -84.67 109.48 18.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.432 ' C ' ' CG ' ' A' ' 53' ' ' ASN . 39.9 m-70 53.08 35.56 19.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' CG ' ' C ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER 46.88 30.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -120.46 -33.96 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -120.28 149.73 41.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.431 HG11 ' CB ' ' A' ' 67' ' ' PHE . 60.1 t -121.45 96.84 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.5 mmm -105.94 164.74 11.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.456 ' C ' ' CE3' ' A' ' 64' ' ' TRP . 16.1 m -128.16 154.25 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.57 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 6.9 tmm_? -87.11 100.56 12.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.47 ' O ' ' C ' ' A' ' 61' ' ' GLY . 98.5 t -118.15 118.55 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -30.95 108.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.12 -22.29 8.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.517 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 168.36 -150.61 16.54 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 52.1 m95 -137.54 128.81 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.296 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.72 173.19 6.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' GLY . 69.8 p -80.63 119.6 23.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.431 ' CB ' HG11 ' A' ' 56' ' ' VAL . 28.5 t80 -40.86 -50.95 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.88 -32.0 69.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -76.23 -35.97 41.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.4 t80 -71.71 -33.18 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.942 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.0 tp -71.09 -53.7 13.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.69 -35.76 68.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -54.72 -50.78 67.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -76.94 -48.23 18.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.429 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.4 t0 -65.67 118.17 48.68 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.39 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.378 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.6 p -55.03 -35.15 64.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 18' ' ' SER . 68.9 mtt-85 -63.31 -46.41 86.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 80' ' ' LEU . 9.6 mmt -40.86 -36.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 79' ' ' MET . 15.3 mt -36.87 -47.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -55.2 139.27 42.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.87 95.67 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.9 p -171.93 128.44 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 54.79 41.94 31.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.4 m -121.64 38.96 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -116.51 118.12 31.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -142.55 151.11 22.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 104.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.9 p -126.44 90.54 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 t -126.6 96.83 34.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.635 0.731 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 130.68 19.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.308 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.6 t -69.21 147.34 51.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.36 157.04 8.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.522 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 169.65 18.39 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m 56.24 42.03 28.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.2 t -116.05 166.82 11.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.493 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -127.58 -49.28 1.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m 58.43 42.04 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.63 56.83 4.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -152.09 135.36 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -59.13 138.52 57.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.76 -61.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -88.67 140.66 29.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.0 mt -95.91 -52.81 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.8 tp -45.69 -56.51 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -52.32 -53.47 43.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -46.37 -43.04 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.5 -66.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 67' ' ' PHE . 94.4 t -41.23 -51.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -59.27 -47.49 85.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 -60.73 -35.12 75.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.0 mt -70.47 -48.78 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.3 p -60.43 -35.5 75.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -88.58 -24.8 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.98 114.34 10.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HG2' ' NH1' ' A' ' 78' ' ' ARG . 54.2 Cg_endo -69.79 141.48 66.08 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.342 0.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.18 27.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.12 114.73 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' CYS . 1.7 mptt -69.47 -48.9 59.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 3.9 m -37.84 153.3 0.13 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.875 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 3.29 2.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.3 m -125.41 86.55 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 tppp? -54.94 132.88 47.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.433 ' CE1' HG13 ' A' ' 41' ' ' VAL . 1.9 t80 -64.61 144.89 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.97 109.33 20.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.1 t -136.42 105.79 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -135.2 156.24 49.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.567 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 14.6 ttm180 -82.0 134.7 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 45' ' ' ILE . 13.2 mt -118.15 -47.0 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -141.44 173.42 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -39.45 -50.73 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.63 39.03 2.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.59 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 22.3 ttp180 -133.87 141.0 47.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 19.9 m-85 -150.94 144.07 24.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -79.99 120.66 24.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.433 HG13 ' CE1' ' A' ' 29' ' ' PHE . 50.3 t -121.51 88.71 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 61.98 78.33 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 16.9 pt-20 43.85 33.26 0.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 110.954 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.42 145.88 37.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 34' ' ' LEU . 51.6 mm -110.16 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.7 mt -111.5 158.24 19.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.08 98.07 8.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.3 mt -90.26 128.33 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -119.11 172.84 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.7 ttt -134.47 117.91 16.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 mt -84.61 112.83 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 48.04 38.42 9.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 44.1 37.74 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -131.66 -33.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -120.98 142.33 49.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.8 t -116.84 103.08 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mtt -109.27 163.22 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 m -129.33 157.99 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.515 ' HD3' ' CE2' ' A' ' 64' ' ' TRP . 10.6 tpt180 -97.94 102.44 14.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.3 m -87.52 -25.17 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.05 -41.23 1.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -126.6 35.72 2.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.48 145.77 4.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.515 ' CE2' ' HD3' ' A' ' 59' ' ' ARG . 61.1 m95 -92.66 118.69 31.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.727 0.299 . . . . 0.0 110.938 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' CD ' ' HB2' ' A' ' 70' ' ' TYR . 10.7 pt-20 -110.42 166.48 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 69' ' ' GLY . 32.2 p -74.57 121.6 21.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.189 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.569 ' CE2' HG11 ' A' ' 14' ' ' VAL . 22.8 t80 -38.64 -54.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.77 -38.28 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -65.44 -45.81 88.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.505 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 1.9 t80 -67.61 -35.88 79.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.898 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.3 tp -72.63 -51.99 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 82' ' ' ILE . 1.2 pp -61.81 -38.72 89.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -53.0 -50.62 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -77.25 -43.03 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -69.9 116.4 43.49 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -43.8 2.52 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.716 2.278 . . . . 0.0 112.369 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.8 p -60.42 -28.4 68.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.421 ' NH1' ' HG2' ' A' ' 21' ' ' PRO . 95.1 mtt-85 -75.99 -50.36 15.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 82' ' ' ILE . 1.4 mmm -48.68 -27.4 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.6 mt -38.6 -31.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.416 ' C ' HG13 ' A' ' 82' ' ' ILE . 11.2 pt20 -85.2 30.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 79' ' ' MET . 52.2 mt -146.3 138.39 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 84' ' ' ARG . 18.3 m -64.65 120.36 12.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.818 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 83' ' ' SER . 0.3 OUTLIER -33.31 140.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 86' ' ' ASP . 79.3 t -142.78 134.74 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 85' ' ' VAL . 0.9 OUTLIER -36.25 149.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.08 129.63 1.15 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -164.63 152.51 11.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 90' ' ' SER . 86.2 m -159.78 143.96 14.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.401 ' N ' HG21 ' A' ' 89' ' ' THR . 73.7 m -118.52 121.64 30.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.707 0.765 . . . . 0.0 110.851 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.278 . . . . 0.0 112.357 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -91.3 -60.46 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.13 74.62 0.11 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -176.62 1.54 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.25 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.2 p 41.66 42.35 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -79.45 95.12 5.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.196 -0.78 . . . . 0.0 112.47 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -141.21 169.99 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.905 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -152.54 144.85 23.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.75 41.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -43.3 147.38 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m 54.78 38.19 29.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.22 83.93 1.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.87 97.73 7.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.466 ' CG ' ' HB2' ' A' ' 53' ' ' ASN . 9.3 tp -90.09 -63.27 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 tp -55.98 -56.93 14.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -39.28 -58.62 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -42.64 -43.91 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.39 -70.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.8 t -41.32 -50.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -58.7 -49.9 75.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -57.55 -39.84 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.3 mt -70.0 -47.4 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.5 p -60.48 -33.99 73.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -90.1 -24.08 21.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -136.63 112.99 9.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.637 0.732 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HG2' ' NH1' ' A' ' 78' ' ' ARG . 54.0 Cg_endo -69.74 142.08 68.55 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.337 -0.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.86 31.66 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.92 115.39 4.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' CYS . 27.2 mmtp -63.99 -49.75 71.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.3 m -37.2 147.6 0.22 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.03 3.04 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.264 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.9 m -131.57 108.12 9.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.04 136.43 56.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -52.33 164.15 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -92.24 110.41 21.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.5 t -138.89 105.8 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -137.2 132.49 33.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -69.97 137.01 51.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 45' ' ' ILE . 18.4 mt -113.02 -46.46 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -154.12 177.06 11.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -56.87 98.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.2 34.26 9.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.442 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 40.3 ttp180 -147.06 131.4 17.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 15.2 m-85 -141.74 149.72 40.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -87.31 107.77 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.2 t -101.77 110.22 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.33 -106.56 0.96 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -123.89 29.26 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.841 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -144.86 153.19 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 34' ' ' LEU . 46.1 mm -104.43 122.93 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 mt -134.23 158.46 43.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.414 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 72.6 m-85 -101.44 106.79 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.5 mt -95.39 129.53 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.554 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 74.6 mtt-85 -126.47 145.94 50.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.491 ' HE2' ' N ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -106.43 125.22 50.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 5.3 mp -89.85 107.09 18.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 49.88 35.23 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.466 ' HB2' ' CG ' ' A' ' 9' ' ' LEU . 13.3 t-20 46.44 37.6 4.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 40.8 tttp -129.1 -38.28 1.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -124.16 122.61 38.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG22 ' CE ' ' A' ' 50' ' ' MET . 91.6 t -97.87 108.49 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.47 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 5.2 mtp -114.69 166.5 11.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 m -132.9 160.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.561 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 9.4 tpt180 -95.18 106.26 18.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.421 HG11 ' CD ' ' A' ' 65' ' ' GLU . 18.4 m -111.47 78.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.21 -51.05 3.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.95 -33.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.48 -177.84 51.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.561 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 93.9 m95 -136.84 113.45 10.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' CD ' HG11 ' A' ' 60' ' ' VAL . 8.3 pt-20 -112.37 169.86 8.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' GLY . 70.1 p -74.57 118.5 17.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -38.06 -53.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.06 -37.37 64.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -64.62 -41.18 97.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.463 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.4 t80 -71.82 -34.47 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.928 0.394 . . . . 0.0 110.94 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -70.77 -36.25 72.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.449 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -63.34 -43.57 97.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.432 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 6.3 mtpm? -47.61 -53.31 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -76.85 -50.45 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.418 ' OD2' ' NE ' ' A' ' 78' ' ' ARG . 9.4 t0 -61.22 116.95 22.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.248 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.7 p -55.77 -27.41 50.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 80' ' ' LEU . 95.4 mtt-85 -80.17 -41.38 25.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 14.8 mtt -39.98 -25.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 78' ' ' ARG . 20.7 mt -81.79 39.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 82' ' ' ILE . 16.2 mt-30 -130.56 -33.85 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 81' ' ' GLN . 70.5 mt -33.8 122.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.8 p -122.45 -43.79 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -78.62 144.2 35.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.5 m -74.06 -33.72 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -45.95 150.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -160.04 -58.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -70.84 114.6 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 60.8 p -107.9 -46.92 3.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.9 m -127.81 106.18 20.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.714 0.769 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -174.7 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.0 p -99.98 176.36 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.07 -106.46 0.29 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 134.45 28.04 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.246 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.1 p -102.37 152.71 20.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.5 p -132.26 117.39 18.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.463 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 40.37 42.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -106.07 42.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.54 -64.76 3.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -85.48 84.11 7.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.89 0.376 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -162.74 112.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.02 67.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -86.67 112.44 21.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 9' ' ' LEU . 4.5 mm? -74.41 -48.4 27.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.6 tp -42.97 -45.13 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -53.18 -55.27 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -46.3 -49.14 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.7 -61.5 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -44.76 -47.8 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -57.76 -48.09 80.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 19' ' ' GLU . 87.7 mtm180 -62.12 -63.07 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.1 mt -43.3 -44.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.2 p -67.52 -31.52 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ARG . 12.4 mt-10 -105.76 25.04 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -169.95 104.99 0.45 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 146.25 81.83 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.3 0.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 129.58 17.78 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.8 t -54.11 113.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.5 mmtp -61.27 -49.52 76.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' LYS . 8.8 m -36.72 152.07 0.11 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 0.92 4.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.312 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.5 m -140.78 108.7 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.39 167.47 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -72.49 174.29 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.13 107.18 19.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.8 t -137.84 107.5 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.12 122.4 28.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.518 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 10.9 ttm180 -69.48 111.43 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.495 HD13 ' N ' ' A' ' 40' ' ' ARG . 3.9 mp -85.54 -45.0 12.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m -171.1 -178.02 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -44.23 115.69 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.56 42.75 99.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -147.37 124.35 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.518 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 34.0 m-85 -143.37 133.57 24.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' N ' HD13 ' A' ' 34' ' ' LEU . 30.5 ttm180 -78.33 96.67 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -93.19 116.58 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.88 -109.06 2.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -125.66 26.34 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -143.51 163.51 32.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 mm -109.22 119.76 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.4 mt -124.04 153.36 41.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -98.33 106.41 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.469 HG12 ' CG1' ' A' ' 58' ' ' VAL . 83.5 mt -93.16 113.88 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -110.89 151.95 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.9 ttt -113.24 123.44 50.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.3 mt -76.65 111.0 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.2 m170 50.05 27.13 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 58.16 33.01 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 29.0 tttp -122.32 -41.01 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.52 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 5.3 m-70 -119.36 139.97 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -105.28 112.23 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.4 mtp -122.02 165.99 15.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.515 ' C ' ' CE3' ' A' ' 64' ' ' TRP . 3.3 m -128.63 157.06 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -96.63 103.66 15.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.426 ' CG1' ' OE2' ' A' ' 65' ' ' GLU . 32.9 m -114.4 39.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 62' ' ' GLY . . . 67.17 -83.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.478 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . -37.2 -44.71 1.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 179.79 -150.72 9.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.515 ' CE3' ' C ' ' A' ' 58' ' ' VAL . 85.7 m95 -112.97 136.06 53.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.426 ' OE2' ' CG1' ' A' ' 60' ' ' VAL . 14.1 pt-20 -132.46 167.26 20.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' GLY . 60.0 p -74.45 117.29 16.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.442 ' CE1' HD11 ' A' ' 48' ' ' ILE . 26.3 t80 -39.75 -57.33 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.74 -32.43 30.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -69.64 -52.3 21.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.425 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.508 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.0 t80 -59.07 -26.83 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.68 -48.34 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.07 -40.76 74.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -48.44 -55.46 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -74.04 -51.83 14.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.422 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 8.8 t0 -60.13 117.62 25.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.45 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.394 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.1 p -54.53 -31.14 55.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' LEU . 87.0 mtt-85 -74.61 -47.99 29.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.94 -24.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 78' ' ' ARG . 29.0 mt -82.74 38.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -108.81 -71.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 6.5 tt -76.01 155.85 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.1 t -93.05 125.24 37.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.36 148.54 50.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 86' ' ' ASP . 8.5 p -93.16 -43.71 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.406 ' N ' HG11 ' A' ' 85' ' ' VAL . 2.9 p30 -115.42 154.84 28.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.65 153.86 24.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.2 pttt -132.9 178.33 6.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.2 m -147.67 147.77 30.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.0 m -136.78 114.97 10.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.69 0.757 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 164.48 34.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.337 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 86.0 p -127.66 152.13 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.59 132.31 11.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' SER . 53.9 Cg_endo -69.74 -5.48 16.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.387 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.2 t -58.66 84.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' PRO . 79.7 p -174.39 171.26 3.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.46 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -61.98 129.48 41.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.812 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -120.81 83.18 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.6 -112.21 0.26 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.9 p -41.21 -66.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -79.52 -48.16 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.95 -131.64 40.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -125.11 95.05 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.8 tp -82.03 -51.87 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.4 tp -48.03 -46.21 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 12' ' ' ASP . 15.5 t0 -53.3 -66.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 11' ' ' ASP . 6.3 t70 -34.42 -42.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.07 -59.14 3.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.555 HG12 ' CE2' ' A' ' 67' ' ' PHE . 85.2 t -51.11 -48.37 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -60.97 -47.42 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -59.73 -59.49 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.4 mt -48.63 -45.24 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.2 p -64.43 -33.79 76.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -102.38 27.72 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -171.52 105.04 0.38 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 146.22 81.5 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.328 -0.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 129.93 18.38 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.8 t -50.43 119.35 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -70.52 -44.2 68.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -43.07 153.71 0.33 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.83 2.52 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.4 m -138.46 122.2 17.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 29' ' ' PHE . 10.3 tptm -77.19 151.0 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.454 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 3.3 t80 -61.77 178.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -105.2 107.18 18.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.6 t -138.12 109.87 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -136.33 119.17 16.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 33.8 ttp180 -66.87 119.4 11.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.503 HD11 ' N ' ' A' ' 40' ' ' ARG . 3.5 mp -96.69 -42.39 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.4 m -142.36 178.4 7.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -44.43 -48.51 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.24 45.16 1.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.416 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 17.8 ttp180 -142.27 134.87 28.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 33' ' ' ARG . 40.9 m-85 -145.54 134.82 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.503 ' N ' HD11 ' A' ' 34' ' ' LEU . 13.2 ttt180 -78.59 95.22 5.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' LYS . 86.7 t -100.61 136.93 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 35.16 63.17 0.55 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 14.6 pt-20 44.86 37.32 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.382 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.7 mttp -142.3 150.72 41.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.7 mm -101.44 106.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.2 mt -119.66 141.59 49.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -90.2 102.8 15.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.481 HD12 ' CE1' ' A' ' 67' ' ' PHE . 89.3 mt -90.82 130.69 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -121.02 172.85 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.3 ttt -129.17 107.38 9.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.414 HD13 ' CG ' ' A' ' 57' ' ' MET . 28.6 mt -70.66 112.87 7.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.443 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 14.8 m170 49.16 34.92 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 4.8 p-10 47.25 35.41 3.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -128.15 -38.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -116.27 149.0 39.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -117.58 100.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.414 ' CG ' HD13 ' A' ' 51' ' ' LEU . 9.5 mmm -108.89 165.79 11.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.543 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 4.7 m -122.77 164.3 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.552 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -108.26 107.87 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 61' ' ' GLY . 10.2 m -107.05 -176.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -35.06 -54.46 0.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.449 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -152.28 86.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.38 176.77 14.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.512 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.552 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 61.7 m95 -133.44 126.11 30.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -120.42 171.55 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' GLY . 49.6 p -75.5 117.1 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.555 ' CE2' HG12 ' A' ' 14' ' ' VAL . 26.3 t80 -37.24 -44.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.82 92.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -61.08 -40.78 99.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.548 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 4.2 t80 -66.07 -34.27 77.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.892 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.456 HD23 ' NE ' ' A' ' 78' ' ' ARG . 11.8 tp -70.3 -45.93 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -55.48 -39.69 70.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 70.4 mttt -54.62 -59.12 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -65.64 -50.18 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.429 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 7.6 t0 -70.48 118.64 66.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.724 2.283 . . . . 0.0 112.318 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.8 p -55.47 -21.91 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.456 ' NE ' HD23 ' A' ' 71' ' ' LEU . 87.0 mtt-85 -78.8 -34.32 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.7 mmt -50.57 -17.71 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.2 mt -77.95 45.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -129.43 -33.52 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 83' ' ' SER . 50.9 mt -141.55 152.89 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 84' ' ' ARG . 2.7 t -80.03 43.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 83' ' ' SER . 20.7 ptt180 32.34 52.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.8 t -83.87 82.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -159.75 170.46 21.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.53 107.26 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.3 147.89 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.463 HG21 ' N ' ' A' ' 90' ' ' SER . 84.9 m -126.35 149.56 49.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.463 ' N ' HG21 ' A' ' 89' ' ' THR . 3.5 t -152.05 111.6 2.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 0.0 110.841 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 178.5 4.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.6 t -112.24 163.07 14.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -146.73 104.2 0.29 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 161.77 44.66 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 t -124.75 164.78 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 m -119.23 163.08 17.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.495 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -82.32 97.29 8.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.377 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 m -132.74 80.51 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.71 -158.99 29.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -101.39 141.75 33.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 p -101.5 132.02 47.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.47 -47.76 0.89 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.9 m120 51.89 52.66 14.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.26 -42.79 13.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.6 tp -81.42 -44.18 17.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -52.92 -46.27 67.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -46.81 -47.8 20.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.44 -52.29 58.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.559 HG13 ' CE2' ' A' ' 67' ' ' PHE . 98.0 t -51.96 -49.73 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -67.26 -45.2 77.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 6.9 mtp-105 -57.81 -40.01 78.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.5 mt -69.45 -50.11 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.3 p -61.13 -33.27 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -87.2 -27.51 22.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -134.53 114.92 12.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 140.94 63.54 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.351 0.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 128.27 15.73 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.8 t -57.42 115.38 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' CYS . 30.7 mmtp -62.81 -50.37 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.5 m -36.56 152.49 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.08 6.17 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.306 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.0 m -142.83 105.92 4.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -62.28 160.54 12.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.93 166.17 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 40' ' ' ARG . 3.3 t -84.24 110.04 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.3 t -135.35 105.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -126.0 120.73 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 27.4 ttm180 -64.08 126.88 29.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.7 mt -112.1 -45.86 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.2 m -154.96 175.67 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -40.3 -51.91 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.35 41.86 1.81 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.515 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 6.8 ttt180 -144.61 135.02 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.526 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 30.2 m-85 -149.54 159.72 44.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' CYS . 25.5 ttt180 -87.99 111.77 21.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.5 t -115.54 127.03 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.72 53.88 2.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 55.99 37.88 29.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -142.43 147.2 35.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.1 mm -97.7 101.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.2 mt -117.66 141.51 48.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -84.14 120.7 26.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -107.71 117.54 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -109.08 172.45 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.0 ttt -128.06 121.02 28.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 mt -79.43 107.35 12.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 51.21 32.72 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m120 53.28 35.48 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 22.5 tttp -125.06 -41.94 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.553 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 2.8 m-70 -121.71 150.19 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.5 t -115.93 111.96 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.9 mmm -112.32 165.11 12.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 4.6 m -125.9 151.87 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.562 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -95.91 106.39 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 61' ' ' GLY . 26.1 m -141.95 132.96 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 62' ' ' GLY . . . 33.57 78.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . 30.11 41.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.561 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . -151.46 135.51 5.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.427 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 85.8 m95 -110.88 122.3 47.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -125.83 172.87 9.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 69' ' ' GLY . 71.9 p -74.82 118.49 17.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.559 ' CE2' HG13 ' A' ' 14' ' ' VAL . 23.5 t80 -36.65 -56.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.66 62.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -66.14 -34.73 89.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.494 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 8.5 t80 -78.95 -24.01 44.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 tp -84.44 -42.75 15.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.467 ' CD1' ' HE3' ' A' ' 79' ' ' MET . 0.5 OUTLIER -69.49 -41.6 75.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' CD ' ' HA ' ' A' ' 70' ' ' TYR . 12.4 ptmt -59.88 -37.36 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -80.15 -48.7 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.438 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 2.2 t70 -72.1 129.76 87.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -55.57 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.305 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.4 p -52.96 -27.25 18.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.438 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 84.2 mtt-85 -75.19 -42.84 54.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.467 ' HE3' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -46.28 -27.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.63 78.07 9.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -119.41 -69.95 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.3 mt -132.99 -66.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t -172.7 127.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -169.56 137.36 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 p -142.52 116.47 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -136.64 169.89 16.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.63 116.16 0.7 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 89' ' ' THR . 31.2 tptt -156.97 154.24 29.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.463 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 73.8 p -111.35 173.18 6.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.5 p -41.32 134.37 1.96 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.649 0.738 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -50.82 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 t -175.07 129.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.9 133.92 43.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.75 18.19 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.33 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 98.4 p -109.25 -32.7 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.9 m -110.43 126.46 54.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.481 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t 66.57 42.31 2.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -160.07 143.36 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.5 177.2 16.42 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -157.63 126.45 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -77.54 -45.97 23.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.23 112.14 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -95.63 135.17 37.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.342 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.9 -50.66 10.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.7 tp -55.36 -60.08 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -39.3 -54.44 1.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -56.64 -53.0 62.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -23.26 63.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -81.4 -32.33 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.187 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -79.88 -40.94 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.506 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 11.4 ptm180 -55.75 -47.33 77.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.506 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 60.7 mt -61.51 -47.02 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.0 p -64.13 -25.25 68.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -107.15 26.05 10.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -174.9 105.01 0.26 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 146.55 82.51 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.314 -0.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 128.96 16.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 39.4 t -51.56 109.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -61.28 -43.99 97.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -42.36 152.95 0.32 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.67 2.65 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.329 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.1 m -143.61 110.68 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.96 153.71 39.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -60.38 171.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 t -100.05 108.66 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.0 t -134.09 106.21 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -122.66 141.48 51.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 58.7 ttt-85 -88.77 126.7 35.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.456 ' CD1' HD13 ' A' ' 45' ' ' ILE . 19.7 mt -103.59 -48.88 3.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.7 m -164.7 -179.76 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -58.05 95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.44 39.31 4.78 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.613 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.4 tpt180 -159.14 129.82 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.823 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 18.1 m-85 -151.83 151.39 31.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' CZ ' ' HA ' ' A' ' 43' ' ' GLU . 15.2 ttt85 -89.91 104.44 17.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.9 t -103.25 110.22 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.8 55.47 27.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' HA ' ' CZ ' ' A' ' 40' ' ' ARG . 39.7 mt-10 56.98 36.84 28.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 110.868 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -143.5 143.28 31.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.456 HD13 ' CD1' ' A' ' 34' ' ' LEU . 38.3 mm -97.88 103.91 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.9 mt -118.63 137.01 53.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -77.87 121.95 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.0 mt -113.62 123.09 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 6.3 ptm85 -114.92 172.67 6.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.3 ttt -131.14 124.54 30.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -88.92 110.07 20.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 53.13 33.51 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 48.96 37.49 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -130.2 -38.93 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -118.02 143.01 46.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.2 t -114.24 100.57 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.4 mtt -102.24 165.82 10.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.585 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 14.2 m -127.96 162.1 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.56 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 12.3 tpt180 -105.0 104.31 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.428 HG21 ' CD ' ' A' ' 65' ' ' GLU . 30.1 m -122.7 158.58 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.52 100.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.31 -40.79 1.51 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.61 -159.41 32.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 73.7 m95 -105.98 142.02 36.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.691 0.281 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' CD ' HG21 ' A' ' 60' ' ' VAL . 6.5 pt-20 -137.63 170.41 16.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 69' ' ' GLY . 59.7 p -75.76 121.21 22.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -41.63 -48.57 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.25 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -69.41 -47.09 53.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 1.7 t80 -62.57 -33.87 75.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.929 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 tp -69.79 -47.2 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -62.06 -38.17 87.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -53.75 -52.64 59.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -74.68 -52.16 12.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.423 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 8.6 t0 -61.54 117.43 27.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.712 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -47.75 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.344 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.7 p -57.22 -35.61 69.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 80.4 mtt-85 -64.04 -46.68 83.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 mmt -39.86 -29.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -78.84 68.33 4.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 82' ' ' ILE . 15.9 mt-30 -124.38 81.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.462 HD13 ' N ' ' A' ' 82' ' ' ILE . 2.7 mp 35.93 54.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 t -154.07 175.62 13.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -103.96 156.5 17.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.1 m -75.14 171.98 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -140.27 158.52 43.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -59.32 -165.95 0.16 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -64.61 144.03 57.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.7 m -121.91 85.66 2.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.2 p -49.62 131.01 19.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.689 0.756 . . . . 0.0 110.811 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 162.97 40.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.232 . . . . 0.0 112.362 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.9 p -79.13 -43.77 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.15 91.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 107.62 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.2 m -118.38 152.11 36.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.9 t -171.77 151.25 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.517 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -153.8 142.33 20.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -140.22 150.0 43.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.24 -157.36 1.0 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 p -118.09 111.37 18.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 p -101.85 -55.29 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.94 84.73 1.3 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 10' ' ' LEU . 6.6 t30 -126.66 127.54 45.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.337 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.77 -48.96 57.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.44 ' HB3' ' ND2' ' A' ' 8' ' ' ASN . 27.3 tp -42.44 -68.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -41.42 -63.47 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.4 -58.06 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.02 -56.97 7.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.55 HG13 ' CE2' ' A' ' 67' ' ' PHE . 86.9 t -46.64 -38.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -67.94 -46.24 72.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -47.27 -58.92 3.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.4 mt -54.39 -44.39 66.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 p -65.17 -25.58 67.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -110.4 25.66 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -175.15 104.99 0.26 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.407 ' O ' ' NH1' ' A' ' 78' ' ' ARG . 53.7 Cg_endo -69.79 146.59 82.69 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.65 16.35 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.625 2.217 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.2 t -50.72 111.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.4 mmtm -58.86 -51.98 67.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.4 m -36.41 153.13 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -0.21 6.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.1 t -128.79 139.37 52.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.91 151.24 21.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.73 169.56 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' O ' ' A' ' 40' ' ' ARG . 1.8 t -95.21 109.29 21.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.8 t -139.18 106.12 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -138.35 136.85 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -77.28 122.37 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.4 mt -96.97 -49.0 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.6 m -158.92 178.24 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -50.04 111.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.12 38.35 73.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -147.29 126.32 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -140.01 144.93 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 30' ' ' CYS . 18.5 ttp180 -83.23 102.83 12.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.2 t -99.82 115.97 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.31 -114.16 5.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -119.18 28.27 8.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -144.58 161.05 40.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.3 mm -107.71 126.56 64.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.4 mt -133.35 166.09 23.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -109.66 99.46 8.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.433 HG12 ' CG1' ' A' ' 58' ' ' VAL . 88.6 mt -89.47 129.19 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -129.93 167.14 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.8 ttt -117.03 95.9 5.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -67.83 117.08 9.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 60.39 27.86 17.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.5 m120 41.97 29.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -127.06 -33.46 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.463 ' HB2' ' CD1' ' A' ' 51' ' ' LEU . 98.4 m-70 -121.51 135.89 54.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.6 t -104.74 103.72 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.452 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . 5.5 mtt -111.13 165.89 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.592 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 4.0 m -123.01 162.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.568 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -103.83 101.89 11.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 4.4 m -101.92 40.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.43 -80.11 1.45 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.0 60.66 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.9 165.35 13.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.534 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.592 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 62.9 m95 -135.99 121.96 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -118.6 171.08 8.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 69' ' ' GLY . 43.6 p -75.37 120.41 20.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.55 ' CE2' HG13 ' A' ' 14' ' ' VAL . 40.2 t80 -38.12 -46.9 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.97 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -68.79 -35.8 80.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.9 t80 -72.15 -35.93 69.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 0.0 110.945 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.16 -50.14 43.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -39.12 72.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -51.16 -54.31 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -72.67 -53.94 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.426 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.5 t0 -57.17 118.21 22.9 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -47.5 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.0 p -57.72 -35.64 70.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.426 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 68.3 mtt-85 -66.42 -42.67 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.6 mtt -40.42 -29.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt -46.68 -45.62 19.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -64.71 170.2 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.1 tp -94.41 133.03 36.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.3 t -163.68 149.69 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -77.62 125.67 29.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.8 p -125.87 122.85 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -171.14 143.56 1.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.57 157.46 13.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -98.73 126.79 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.6 p -55.4 127.08 27.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.1 m -153.97 151.81 25.48 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.688 0.756 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 171.1 15.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.5 t -149.2 147.72 28.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.31 75.21 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 148.18 64.33 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.645 2.23 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.9 p -169.25 110.72 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.5 t -166.5 171.74 11.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.531 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 t -39.02 -52.89 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -78.47 157.67 28.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.6 44.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 t -84.38 82.49 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.917 0.389 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -140.46 173.61 11.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.96 155.49 33.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -127.75 140.86 51.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.373 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' LEU . 9.0 mp -98.32 -47.62 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 50' ' ' MET . 4.6 tp -37.13 -61.31 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.509 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -41.92 -53.42 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.509 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 7.1 t70 -53.65 -49.38 68.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HA ' ' CD ' ' A' ' 16' ' ' ARG . . . -66.42 -22.23 66.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -82.96 -35.38 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -76.06 -38.1 57.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.484 ' CD ' ' HA ' ' A' ' 13' ' ' ALA . 25.8 ptt180 -56.74 -47.67 79.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 61.0 mt -61.81 -50.04 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 11.0 p -59.72 -31.95 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.39 -25.11 22.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.2 t70 -136.08 114.12 10.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 140.54 61.29 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.349 0.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 132.81 24.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 15.7 t -58.64 116.04 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 25' ' ' CYS . 41.9 mmtm -65.66 -50.16 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.4 m -35.05 152.65 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.98 3.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.6 m -137.46 127.84 26.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.06 152.27 27.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -64.28 168.9 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.48 107.38 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.1 t -137.42 105.72 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -125.18 148.46 48.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -86.3 121.29 28.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 45' ' ' ILE . 19.0 mt -104.34 -47.58 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -148.76 176.36 10.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -41.19 -50.47 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.02 40.31 2.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.48 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 8.7 ttm180 -138.48 136.13 35.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 35.7 m-85 -148.21 149.66 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -89.17 103.9 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -109.34 125.75 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.19 52.78 6.94 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 56.52 41.32 28.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -143.87 151.72 40.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.45 ' CD1' HD12 ' A' ' 34' ' ' LEU . 27.3 mm -104.76 106.43 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 mt -123.63 152.79 41.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -100.17 103.09 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.6 mt -91.41 133.75 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 11.7 ptp180 -124.38 153.12 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.478 ' HE3' ' CA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -116.42 117.52 30.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.23 127.39 37.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.454 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 11.2 m-70 47.08 29.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 3.2 p-10 46.8 33.13 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.518 ' CG ' ' CD2' ' A' ' 55' ' ' HIS . 2.4 ptmm? -135.03 -38.38 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.518 ' CD2' ' CG ' ' A' ' 54' ' ' LYS . 33.6 m-70 -103.23 124.62 48.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.446 HG11 ' CB ' ' A' ' 67' ' ' PHE . 93.2 t -107.79 99.64 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.4 mmm -110.88 166.22 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.428 ' C ' ' CE3' ' A' ' 64' ' ' TRP . 8.8 m -127.51 151.94 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.54 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 3.2 tmm_? -92.89 115.56 28.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.408 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 17.5 m -125.12 52.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.3 -105.29 2.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.09 50.12 0.82 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -180.0 146.74 7.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.567 ' CZ3' ' HG2' ' A' ' 49' ' ' ARG . 94.0 m95 -117.7 129.3 55.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -127.66 164.75 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 69' ' ' GLY . 39.5 p -75.37 123.25 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.446 ' CB ' HG11 ' A' ' 56' ' ' VAL . 23.4 t80 -38.46 -48.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.41 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -61.34 -43.36 99.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.502 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 6.9 t80 -72.98 -24.5 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.932 0.396 . . . . 0.0 110.934 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.8 tp -85.25 -33.07 22.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -73.16 -38.72 66.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -59.83 -41.93 92.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -80.86 -47.81 13.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.423 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.9 t0 -70.67 119.21 71.37 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.601 0.715 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.41 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 54.1 Cg_endo -69.73 -47.08 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.5 p -58.58 -32.11 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 87.9 mtt-85 -66.89 -45.89 76.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.0 ttt -45.58 -43.73 12.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 79' ' ' MET . 17.7 mt -33.8 -38.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 80' ' ' LEU . 17.0 mt-30 -34.87 113.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.4 mt -44.7 156.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.6 m 60.46 46.21 9.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -87.23 42.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.7 m -105.89 42.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.68 98.31 5.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.59 142.46 12.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -152.13 158.87 43.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.9 m -148.39 137.92 22.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 t -76.25 136.85 68.52 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.54 4.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.349 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 93' ' ' GLY . 80.7 p -105.41 85.93 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 92' ' ' SER . . . 34.86 89.87 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -18.73 37.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 41.7 t -166.74 127.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.1 m 55.14 43.29 29.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.472 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -78.4 85.44 4.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -112.28 176.68 4.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.12 -155.34 0.86 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.424 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 t 61.17 41.8 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -120.98 85.48 2.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.42 70.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -135.5 137.04 41.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.97 -52.43 65.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 24.4 tp -43.94 -57.83 3.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.58 -58.43 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.27 -40.99 1.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.85 -53.94 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -49.34 -51.03 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -55.12 -47.65 74.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -61.72 -57.46 11.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 mt -47.35 -47.74 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.435 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 62.5 p -67.47 -28.86 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -110.23 29.23 7.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -175.08 105.01 0.26 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.0 78.27 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.356 -0.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.46 17.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.9 t -55.57 125.0 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' CYS . 55.7 mmtt -78.05 -46.97 19.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.6 m -37.51 153.23 0.12 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 3.92 2.52 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.5 m -131.21 119.12 21.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -76.2 150.21 37.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -66.49 158.49 29.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.9 t -89.34 106.91 18.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -136.36 105.25 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -128.17 133.85 48.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -81.15 129.3 34.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.446 ' CD1' HD11 ' A' ' 45' ' ' ILE . 15.5 mt -114.44 -50.72 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.7 m -149.54 174.99 11.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.12 90.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.28 -33.04 6.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.461 ' CZ ' HG22 ' A' ' 45' ' ' ILE . 17.6 ttt180 -79.42 133.59 36.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.822 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -148.43 147.6 29.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -85.44 107.86 17.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.8 t -116.17 121.87 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 49.93 59.31 7.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 19.5 pt-20 46.87 38.73 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -144.76 147.75 33.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.461 HG22 ' CZ ' ' A' ' 38' ' ' ARG . 42.0 mm -97.51 115.77 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.0 mt -127.2 142.45 51.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -89.21 97.99 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.5 mt -86.79 133.16 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -119.42 172.42 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 10' ' ' LEU . 3.8 ttt -134.22 103.41 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.62 114.62 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 45.75 34.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m120 48.07 36.99 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -126.77 -37.89 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -120.04 149.35 42.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.408 HG11 ' CB ' ' A' ' 67' ' ' PHE . 34.5 t -115.62 115.86 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.4 mmm -125.39 156.1 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.14 151.05 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -88.54 134.06 33.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 62' ' ' GLY . 33.4 m -146.76 130.81 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . 34.04 -91.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 60' ' ' VAL . . . -135.42 52.22 0.8 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -172.92 176.78 45.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.567 ' CZ2' ' HB2' ' A' ' 59' ' ' ARG . 65.7 m95 -137.34 124.4 21.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.769 0.318 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -112.3 -173.95 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 67' ' ' PHE . 38.9 p -94.53 111.46 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' THR . 32.0 t80 -35.88 -56.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.99 -50.35 61.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.15 -39.36 97.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.3 t80 -64.62 -31.1 72.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.943 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.449 HD23 ' NE ' ' A' ' 78' ' ' ARG . 7.9 tp -69.92 -37.38 75.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 75' ' ' ASP . 0.6 OUTLIER -64.84 -48.6 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -47.49 -50.54 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -72.14 -57.5 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.432 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.0 t0 -69.46 119.55 71.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.74 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -52.04 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.317 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 10.0 p -53.88 -35.33 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.449 ' NE ' HD23 ' A' ' 71' ' ' LEU . 50.2 mtt-85 -64.17 -55.06 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.466 ' O ' ' N ' ' A' ' 81' ' ' GLN . 5.3 mmt -39.75 -37.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 81' ' ' GLN . 62.1 mt -33.82 -35.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 79' ' ' MET . 37.7 mt-30 -33.32 -48.55 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' SER . 3.7 mp -149.39 138.0 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' ILE . 24.3 p -34.57 124.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 178.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.9 m -149.26 166.1 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -102.87 106.91 17.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -164.04 117.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -137.42 151.86 48.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.7 m -135.57 136.99 41.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.0 m -111.3 104.74 56.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.665 0.745 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -3.14 11.4 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.336 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.0 m 51.92 42.87 30.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -170.97 92.73 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 95' ' ' SER . 53.7 Cg_endo -69.82 1.83 4.12 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 94' ' ' PRO . 74.6 p -36.25 148.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.8 t -111.67 89.83 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.462 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -95.37 152.0 18.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -45.44 -45.64 13.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.32 81.23 1.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -125.51 151.0 46.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 t -143.71 163.32 33.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 132.26 -40.02 1.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 7' ' ' GLY . 5.3 m-20 -35.29 140.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tt -91.96 -42.82 9.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 11' ' ' ASP . 7.0 tp -44.71 -63.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.54 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -34.56 -55.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.54 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 12.6 t0 -60.46 -47.26 86.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . . . -63.64 -23.52 67.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.2 t -81.43 -36.0 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -75.37 -40.14 58.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 7.6 ptp180 -56.47 -48.01 78.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.513 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 68.9 mt -58.46 -39.57 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.451 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 13.1 p -72.89 -21.82 60.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -111.55 24.02 13.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -174.05 105.44 0.29 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.439 ' O ' ' NH1' ' A' ' 78' ' ' ARG . 53.6 Cg_endo -69.77 144.54 76.94 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.314 0.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.05 16.95 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.234 . . . . 0.0 112.383 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.0 t -56.0 113.98 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' CYS . 12.1 mmtp -71.19 -46.41 61.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.8 m -35.7 153.55 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.88 2.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.727 2.284 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 m -140.08 121.57 15.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -76.2 162.38 28.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -75.31 174.66 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.19 107.47 19.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.6 t -137.35 105.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -130.2 154.78 47.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -95.27 128.81 42.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' CD1' HD13 ' A' ' 45' ' ' ILE . 7.0 mt -116.25 -44.36 2.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.1 m -156.0 168.94 25.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -53.81 101.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.14 -15.88 61.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -96.39 133.76 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -151.31 146.55 26.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -79.77 123.85 28.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -127.44 118.57 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.05 47.98 19.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 61.92 39.53 13.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -143.8 145.04 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.403 HD13 ' CD1' ' A' ' 34' ' ' LEU . 49.1 mm -98.04 105.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.8 mt -118.87 158.78 25.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -102.42 102.33 12.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.1 mt -89.92 114.18 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -107.54 170.71 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.8 ttt -131.34 118.22 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.49 109.48 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 54.39 30.71 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 51.85 36.66 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -128.09 -41.61 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -116.09 139.12 50.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.19 111.37 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mtp -115.34 165.91 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.2 m -127.96 155.32 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.558 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -101.21 105.21 16.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.3 m -123.1 166.69 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.11 102.35 0.41 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.46 -36.11 2.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.98 -145.49 9.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.558 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 38.9 m95 -129.31 135.6 48.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -128.13 178.15 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 69' ' ' GLY . 53.2 p -83.7 119.48 24.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.18 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -39.14 -52.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.95 67.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -73.05 -35.99 57.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.519 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.7 t80 -74.77 -26.46 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.921 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.423 HD21 ' NE ' ' A' ' 78' ' ' ARG . 13.7 tp -84.28 -43.13 15.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -66.25 -41.02 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 10.2 ptpt -62.75 -33.36 74.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.464 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 10.9 m80 -81.85 -47.61 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -77.57 127.54 82.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.719 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -54.65 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.2 p -52.5 -35.83 53.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 18' ' ' SER . 64.0 mtt-85 -62.95 -48.55 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.4 mtp -41.25 -28.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.0 mt -42.23 -34.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -83.02 36.47 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.3 mm -131.67 104.7 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.5 p -62.07 -43.95 97.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -151.79 130.23 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.457 HG22 ' N ' ' A' ' 86' ' ' ASP . 10.6 p -111.09 153.5 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.457 ' N ' HG22 ' A' ' 85' ' ' VAL . 8.5 m-20 -81.44 -47.43 13.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.43 125.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.476 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -151.9 148.32 27.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.357 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.8 m -72.92 134.88 44.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 t -122.15 88.14 48.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.706 0.765 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 106.49 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.324 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 t -155.14 146.65 23.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.69 144.78 9.93 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.58 45.36 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 t -71.16 94.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 p -139.52 176.85 8.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.518 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 t -83.96 47.43 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -76.32 -52.82 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.0 130.22 4.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -85.67 150.12 24.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.371 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m 55.27 41.18 31.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.43 -114.88 3.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 46.28 45.13 13.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.26 -39.43 86.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 tp -53.89 -52.14 61.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.88 -48.92 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.26 -43.8 98.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.02 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.86 -43.22 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -64.18 -45.86 86.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -65.4 -58.25 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mt -48.74 -50.5 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.6 p -57.85 -32.39 67.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -104.99 28.39 7.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -173.78 105.06 0.3 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.567 0.699 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 146.08 81.16 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.377 -0.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 131.66 21.76 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 39.7 t -56.41 107.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -64.62 -42.68 95.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.0 m -39.67 152.61 0.2 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 2.65 3.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.1 m -143.96 108.26 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -65.41 160.09 22.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -72.32 172.36 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.49 113.67 25.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.9 t -138.21 105.72 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -124.93 137.32 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.495 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 5.1 tmm_? -85.17 122.61 29.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' CD1' HD11 ' A' ' 45' ' ' ILE . 14.3 mt -108.34 -50.7 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -142.34 176.62 8.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -40.53 -57.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 48' ' ' ILE . . . -117.58 41.23 2.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.485 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 18.5 ttp180 -138.78 128.46 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.332 . . . . 0.0 110.896 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.495 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 24.9 m-85 -146.74 160.3 42.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.414 ' NH1' ' HA ' ' A' ' 43' ' ' GLU . 11.9 ttm-85 -92.99 111.76 23.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.413 HG12 ' CE1' ' A' ' 70' ' ' TYR . 97.0 t -115.01 114.12 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 51.74 52.0 36.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HA ' ' NH1' ' A' ' 40' ' ' ARG . 4.6 tt0 59.23 39.6 22.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.959 0.409 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -142.79 153.5 43.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.415 HD11 ' CD1' ' A' ' 34' ' ' LEU . 50.4 mm -105.67 107.65 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.4 mt -116.91 159.7 22.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -104.61 99.77 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.415 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 41.4 mt -93.19 135.23 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.554 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 35.1 ptt180 -131.21 165.55 23.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.7 ttt -122.66 114.35 20.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.07 105.28 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 56.56 32.89 21.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.7 m120 48.93 37.84 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -130.1 -37.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -118.79 148.07 43.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.2 t -112.96 113.55 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.3 mmm -124.41 165.7 17.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.571 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 3.8 m -130.19 164.63 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 12.4 tpt180 -104.69 108.04 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.9 m -111.87 39.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 46.06 89.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.0 -44.24 1.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.78 172.38 37.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 85.8 m95 -110.08 130.8 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -124.07 167.94 13.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 69.7 p -75.04 117.17 16.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' THR . 30.2 t80 -35.84 -54.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.35 -39.07 63.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -61.7 -45.17 96.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.2 t80 -67.22 -32.96 74.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 tp -69.32 -44.48 71.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -60.21 -40.37 89.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.974 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 31.7 mttm -49.0 -53.02 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -77.18 -48.23 18.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -66.25 116.42 33.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.561 0.696 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.09 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.354 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.6 p -54.82 -27.0 38.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -75.52 -41.42 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.9 mmt -42.35 -38.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 81' ' ' GLN . 76.3 mt -37.84 -36.64 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 80' ' ' LEU . 13.0 mm-40 -34.32 132.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.7 mt -52.34 -46.13 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.0 t -38.67 122.6 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -42.44 164.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.444 HG21 ' N ' ' A' ' 86' ' ' ASP . 8.4 p -106.72 147.81 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.444 ' N ' HG21 ' A' ' 85' ' ' VAL . 33.8 t0 -123.76 160.42 27.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.09 138.41 7.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -149.98 173.98 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.866 0.365 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.9 m -74.17 94.92 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.585 ' CB ' ' CD ' ' A' ' 91' ' ' PRO . 0.6 OUTLIER -81.86 -67.16 0.22 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.693 0.758 . . . . 0.0 110.826 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 90' ' ' SER . 54.1 Cg_endo -69.76 125.67 12.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.6 p -174.31 106.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.59 117.72 0.56 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -178.31 2.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.9 t -165.4 138.24 4.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.6 t -160.09 155.32 25.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.484 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t 55.18 42.34 30.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 p -147.25 143.09 27.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.18 -48.28 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -62.98 -52.55 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.88 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 m -47.6 139.87 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.49 95.0 1.71 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -85.88 89.2 7.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -96.87 -59.51 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' LEU . 19.5 tp -36.05 -57.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -41.18 -54.65 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.532 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 6.2 t70 -48.95 -53.17 20.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HA ' ' CD ' ' A' ' 16' ' ' ARG . . . -62.62 -24.63 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.07 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.7 t -79.98 -34.03 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -79.52 -44.34 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.502 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 50.1 ptt85 -51.85 -51.11 58.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.502 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 66.7 mt -56.73 -46.97 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 p -62.89 -22.22 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -111.27 25.16 12.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -174.57 105.0 0.27 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 144.45 76.64 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.297 0.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 131.05 20.43 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.393 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.5 t -58.32 120.98 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 25' ' ' CYS . 61.0 mmtt -73.72 -48.61 30.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.6 m -35.93 151.32 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 110.947 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.56 3.45 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.8 m -137.62 109.11 6.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -62.64 168.81 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -79.9 170.9 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.2 t -90.82 107.79 19.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.9 t -138.68 105.69 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -136.44 123.35 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 -73.68 132.29 42.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CD1' HD11 ' A' ' 45' ' ' ILE . 6.4 mt -110.56 -44.94 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.0 m -159.88 -175.44 5.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.69 106.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.74 30.63 31.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.54 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 17.9 ttm180 -145.6 127.59 15.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 43.3 m-85 -146.66 149.31 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -82.98 114.94 21.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' LYS . 90.7 t -116.81 127.26 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 38.67 51.02 2.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 60.67 38.62 18.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.394 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.7 mttm -141.23 154.59 45.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.442 HD11 ' CD1' ' A' ' 34' ' ' LEU . 46.4 mm -105.23 100.88 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.9 mt -114.36 154.55 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -102.29 99.63 9.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mt -92.61 121.09 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.491 ' HG3' ' N ' ' A' ' 50' ' ' MET . 3.5 ttp85 -121.32 157.51 30.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.491 ' N ' ' HG3' ' A' ' 49' ' ' ARG . 6.0 ttt -107.74 135.43 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.417 HD13 ' CG ' ' A' ' 57' ' ' MET . 14.4 mt -91.84 102.98 15.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 57.44 36.62 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 22.7 t-20 46.34 40.31 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -134.09 -34.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -123.48 149.67 44.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.5 t -118.18 103.6 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.417 ' CG ' HD13 ' A' ' 51' ' ' LEU . 6.4 mmm -113.84 165.06 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.0 m -121.7 143.06 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.572 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 2.1 tmt_? -94.05 115.51 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.1 m -116.12 21.68 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.467 ' HA2' ' CZ ' ' A' ' 59' ' ' ARG . . . 94.99 85.31 1.67 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.54 -36.87 2.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.61 144.85 15.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 44.5 m95 -126.94 136.61 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.736 0.303 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -131.81 170.34 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' GLY . 61.8 p -76.68 119.17 20.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.142 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -41.38 -51.48 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.26 -32.57 64.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -71.43 -48.12 31.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.53 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 5.4 t80 -63.11 -24.17 67.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.424 HD23 ' NE ' ' A' ' 78' ' ' ARG . 15.5 tp -84.89 -50.65 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.43 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -57.13 -33.21 67.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -68.92 -39.43 79.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 13.5 m80 -75.04 -48.14 25.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -79.99 129.16 71.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.565 0.697 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -55.9 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 p -51.95 -28.03 15.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.424 ' NE ' HD23 ' A' ' 71' ' ' LEU . 65.5 mtt-85 -71.82 -38.02 70.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 36.4 mtp -44.7 -38.28 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.7 mt -41.03 -42.48 1.94 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -38.01 145.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.6 92.9 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 t -167.53 157.97 11.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -97.78 168.7 10.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.2 t -89.01 -53.48 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.5 t70 58.38 43.71 19.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -117.52 118.6 4.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -170.65 119.57 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.347 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.3 t -164.17 139.5 5.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.2 t -49.03 139.75 12.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.63 0.729 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 174.8 8.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.1 p -167.56 148.72 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -179.1 73.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -173.68 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 t -95.23 116.27 28.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.9 p -124.61 158.72 32.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.082 -0.843 . . . . 0.0 112.476 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -162.0 155.11 20.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 0.0 110.829 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 m -97.85 83.42 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.7 -121.47 3.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -102.12 81.42 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.838 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -108.51 84.55 1.95 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.63 126.48 3.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -108.39 162.47 14.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.26 -43.12 10.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.23 -56.45 21.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.85 -50.18 27.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.89 -43.97 94.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.459 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . . . -67.03 -23.8 65.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -83.15 -39.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -72.86 -35.73 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 9.7 ptp180 -60.99 -46.38 90.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.52 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 73.7 mt -62.52 -42.7 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 p -70.54 -15.16 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -115.82 24.22 11.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -174.15 105.03 0.28 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.588 0.709 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 145.98 80.89 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.326 0.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 127.0 13.97 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.0 t -52.53 121.37 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' CYS . 41.6 mttt -80.78 -42.62 21.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.3 m -38.1 153.53 0.14 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.98 2.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 2.28 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.2 m -140.1 117.64 11.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 141.34 51.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -53.31 165.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.4 t -92.17 108.46 19.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.5 t -136.4 105.92 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -126.82 132.62 50.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.574 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -83.4 122.03 27.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 45' ' ' ILE . 22.0 mt -107.52 -45.91 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -144.18 174.48 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -44.87 -48.3 11.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.59 40.01 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.534 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 41.5 ttp180 -141.08 136.1 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.574 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 55.9 m-85 -154.65 152.17 29.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -84.51 127.59 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.85 119.5 45.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.84 51.97 17.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 59.16 40.24 21.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -144.16 155.69 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.461 HD11 ' CD1' ' A' ' 34' ' ' LEU . 39.3 mm -107.4 99.55 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.4 mt -110.1 147.22 34.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -94.66 103.47 15.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.426 HG12 ' CG1' ' A' ' 58' ' ' VAL . 70.1 mt -96.5 134.52 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -129.15 167.33 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.4 ttt -124.59 121.72 35.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 5.5 mp -79.01 103.59 9.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 55.27 33.14 20.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 51.06 38.85 21.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -127.38 -36.76 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -123.26 150.41 43.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.42 102.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.477 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 6.4 mtp -111.66 165.69 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 4.8 m -127.73 163.01 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.558 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -107.72 105.16 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 61' ' ' GLY . 31.2 m -129.69 139.25 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -36.16 105.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.8 -42.42 1.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 172.31 -149.99 12.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.558 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 49.8 m95 -126.8 131.31 51.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.749 0.309 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -124.57 175.49 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' GLY . 72.8 p -79.4 114.23 18.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 66' ' ' THR . 29.0 t80 -35.45 -56.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.81 -39.32 62.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -64.35 -41.29 98.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.6 t80 -68.88 -33.62 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.2 tp -72.04 -46.89 55.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.419 HD13 ' C ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -56.07 -40.27 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 36.8 mtpt -62.22 -63.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -53.63 -43.76 69.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.421 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 3.2 t0 -77.69 124.55 86.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.416 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 53.7 Cg_endo -69.72 -55.3 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.25 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.0 p -51.87 -36.48 48.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.421 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 64.8 mtt-85 -65.88 -41.73 91.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 81' ' ' GLN . 4.3 ttt -48.35 -43.07 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 81' ' ' GLN . 46.1 mt -35.12 -31.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 79' ' ' MET . 74.5 mt-30 -32.81 -71.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.3 mt -130.93 -43.87 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.4 t 40.5 53.38 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -68.48 -52.04 36.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -114.75 177.86 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -80.97 45.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 55.65 -109.63 1.5 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 89' ' ' THR . 9.3 tmtt? -164.08 147.06 9.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 88' ' ' LYS . 24.2 m -33.93 141.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.9 t -114.15 92.49 26.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 101.4 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.725 2.283 . . . . 0.0 112.312 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -53.44 112.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.56 142.73 16.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 109.01 2.19 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.0 t -163.12 119.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -142.37 153.72 44.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.504 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -111.44 116.83 31.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -159.82 159.1 32.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.89 -171.54 12.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.438 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -135.8 174.95 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.2 p -92.03 42.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.76 140.82 5.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.89 81.94 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.429 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -75.87 -50.97 13.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.7 tp -44.74 -57.64 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.23 -52.08 62.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -50.02 -47.4 53.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.42 -62.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.4 t -44.76 -45.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -64.14 -35.34 80.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -74.83 -61.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.0 mt -47.42 -38.5 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.417 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 54.5 p -71.87 -31.87 66.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -104.7 32.17 4.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -174.77 105.16 0.27 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.552 0.691 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HG2' ' NH1' ' A' ' 78' ' ' ARG . 53.7 Cg_endo -69.7 145.26 78.8 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.331 -0.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.21 22.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.619 2.213 . . . . 0.0 112.375 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.447 ' HB3' ' CD ' ' A' ' 28' ' ' LYS . 23.3 t -55.26 121.06 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' CYS . 45.1 mmtm -73.28 -46.23 51.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.7 m -36.58 152.16 0.1 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.665 0.745 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 1.82 4.08 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 m -134.93 89.6 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' CD ' ' HB3' ' A' ' 23' ' ' CYS . 20.1 tptp -50.5 139.26 16.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.63 158.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -92.12 107.44 19.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.7 t -133.17 107.05 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 4.9 tp10 -126.01 150.89 47.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 5.4 tmm_? -95.46 124.08 39.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.2 mt -108.58 -50.27 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' GLY . 2.0 m -147.36 172.34 14.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.99 78.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' SER . . . 125.64 -28.73 4.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -86.82 130.53 34.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -146.02 145.11 30.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -81.67 120.53 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.7 t -125.0 108.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.1 48.87 70.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 60.79 36.28 19.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -143.43 136.67 27.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.6 mm -89.21 111.77 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.9 mt -122.59 136.83 54.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -82.17 104.59 12.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.0 mt -92.92 121.27 43.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 13.2 ptm180 -120.26 167.93 11.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.6 mmt -116.91 143.9 45.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.2 mt -102.26 95.0 6.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.1 m170 61.19 25.48 15.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 24.6 t30 59.4 35.47 23.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.481 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 32.6 tttt -127.69 -40.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.481 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 2.1 m-70 -122.09 149.08 44.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -108.6 108.62 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 mtt -107.83 165.78 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.547 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 3.6 m -134.5 166.55 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.5 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 9.4 tpt180 -106.42 117.73 34.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 62' ' ' GLY . 31.3 m -146.29 142.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.29 95.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.452 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 60' ' ' VAL . . . 145.07 -36.39 1.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.445 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.53 -133.13 3.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.567 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 76.4 m95 -134.33 127.8 32.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.721 0.296 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -124.07 170.29 10.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 69' ' ' GLY . 49.7 p -74.48 115.59 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' THR . 26.9 t80 -35.17 -63.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.59 -36.16 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -68.14 -40.6 88.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.7 t80 -70.41 -35.85 73.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 0.0 110.934 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.49 -51.8 57.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.472 ' CD1' ' HE2' ' A' ' 79' ' ' MET . 0.6 OUTLIER -56.66 -34.64 67.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -59.35 -61.05 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -64.62 -49.38 71.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 9.5 t0 -63.16 117.01 29.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.4 p -54.42 -31.03 54.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 18' ' ' SER . 93.0 mtt-85 -71.23 -46.15 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.472 ' HE2' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -40.49 -27.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' ARG . 37.9 mt -53.28 -45.45 68.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -47.18 150.58 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.78 127.44 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.1 m -76.67 128.8 35.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.407 ' HD2' ' C ' ' A' ' 84' ' ' ARG . 1.9 ppt_? -137.16 164.0 29.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.6 m -143.96 165.54 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -90.2 -56.68 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 168.96 -152.36 19.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.441 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -132.32 96.19 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.4 m -149.92 118.5 6.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.7 m -45.45 134.23 5.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 134.48 28.1 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.632 2.221 . . . . 0.0 112.366 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 p -68.62 107.3 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.35 154.53 0.35 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 142.52 47.79 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 m -94.88 133.75 38.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.7 p -117.75 175.93 5.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.513 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -153.48 113.19 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 p -76.43 98.77 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.57 -44.8 70.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 m -127.07 153.02 46.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.381 . . . . 0.0 110.857 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m 57.97 44.01 20.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.07 -36.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -107.96 103.56 12.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.826 0.346 . . . . 0.0 110.847 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -97.71 -63.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.87 -62.22 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -42.06 -48.49 4.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.11 -43.08 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.94 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.546 HG12 ' CE2' ' A' ' 67' ' ' PHE . 88.2 t -41.81 -51.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -47.24 80.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 mtp85 -53.72 -46.77 70.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.9 mt -70.17 -46.48 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p -60.68 -25.58 66.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' OE1' ' NZ ' ' A' ' 28' ' ' LYS . 11.9 mm-40 -100.52 -21.35 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -134.56 114.46 12.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.562 0.696 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 140.45 60.53 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.382 0.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.406 ' CA ' ' O ' ' A' ' 19' ' ' GLU . 53.6 Cg_endo -69.79 130.75 19.85 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.1 t -54.42 120.39 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' CYS . 32.6 mmtp -67.39 -48.49 67.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LYS . 15.2 m -34.94 152.27 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.85 3.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.7 m -137.41 108.98 6.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' NZ ' ' OE1' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -64.44 139.94 58.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -49.62 173.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -97.75 109.49 22.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -138.94 107.14 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -131.42 128.85 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -74.63 128.48 35.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 mt -115.2 -45.43 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 t -154.27 170.75 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -58.43 94.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' ILE . . . 110.94 -28.11 10.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.53 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.457 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 15.5 ttp180 -90.16 137.49 32.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 61.1 m-85 -151.7 142.64 23.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -81.13 99.18 8.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.2 t -110.98 133.84 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' LYS . . . 39.95 70.49 0.35 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' GLY . 16.1 pt-20 37.55 28.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.923 0.392 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLY . 39.4 mttp -133.97 154.58 51.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.0 mm -105.77 105.27 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -118.01 151.09 38.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -99.64 99.89 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' GLY . 51.4 mt -83.15 133.23 29.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -126.01 169.05 13.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.0 ttt -127.72 120.24 27.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.2 mt -86.54 111.04 20.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 18.8 m-70 49.71 35.71 9.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 1.1 p-10 47.23 34.88 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -128.05 -34.41 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -122.27 147.11 46.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.92 102.83 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.6 mmm -108.03 165.69 11.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.502 ' C ' ' CE3' ' A' ' 64' ' ' TRP . 13.6 m -127.33 152.8 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.531 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 7.4 tpp180 -82.12 116.05 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.0 t -138.92 114.44 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 41.4 -119.76 1.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.432 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.82 42.15 2.0 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -175.52 133.98 2.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.531 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 40.6 m95 -94.16 133.91 37.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.724 0.297 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -118.47 167.57 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 69' ' ' GLY . 67.4 p -75.3 121.06 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' HG12 ' A' ' 14' ' ' VAL . 17.6 t80 -35.19 -67.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.43 -32.72 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -71.85 -36.44 61.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.3 t80 -75.82 -35.23 60.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.6 tp -69.82 -41.91 74.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.439 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -63.89 -35.61 81.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -54.26 -53.69 50.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -76.18 -43.02 44.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.23 117.52 53.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.7 p -54.37 -29.2 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -78.02 -42.74 31.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.56 -47.61 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.21 50.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -76.41 -44.48 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.3 tp -123.63 82.01 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.2 t -174.29 131.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -8.75 59.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.4 p -155.21 127.65 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -117.4 172.86 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.94 -53.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.2 tttp 49.16 42.88 22.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.0 m -101.38 113.54 26.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.4 p -140.68 140.21 21.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.648 0.737 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 92' ' ' SER . 53.9 Cg_endo -69.73 -12.13 32.31 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 91' ' ' PRO . 28.3 t -34.18 124.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -108.62 91.25 0.65 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 148.32 64.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.354 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.0 t -113.12 147.91 36.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 t -87.99 157.59 18.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.442 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p -172.23 126.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.89 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -83.38 42.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.1 -104.48 3.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -156.24 174.12 15.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.382 . . . . 0.0 110.843 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -119.13 -60.35 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.26 87.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -104.76 89.03 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.505 HD21 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -99.02 -6.76 27.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.505 ' N ' HD21 ' A' ' 9' ' ' LEU . 5.9 tp -82.61 -36.2 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.6 -27.2 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.7 -52.9 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.52 -49.12 76.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -58.42 -47.32 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -60.36 -44.76 95.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -66.31 -60.63 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.3 mt -49.43 -50.23 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.5 p -56.11 -36.12 67.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -105.77 31.46 5.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -174.52 105.03 0.27 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 145.7 80.14 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.324 0.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 132.05 22.43 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.1 t -54.23 114.04 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.6 mttt -71.45 -46.94 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' LYS . 4.4 m -36.75 154.82 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.8 2.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.8 t -131.79 141.7 49.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.18 143.84 26.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -65.59 162.43 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.27 106.86 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.8 t -139.25 107.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 6.6 tp10 -130.82 152.26 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.429 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 18.3 ttt85 -92.42 130.69 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.424 ' CD1' HD11 ' A' ' 45' ' ' ILE . 8.6 mt -115.14 -46.75 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.6 m -145.72 177.7 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -38.99 -58.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.5 43.31 1.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.516 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 12.1 ttm180 -136.91 136.83 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.894 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 39.0 m-85 -150.54 151.77 33.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -89.11 102.11 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.7 t -110.27 130.6 63.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' GLU . . . 40.41 71.42 0.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.504 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLY . 1.6 tm-20 36.56 37.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.958 0.409 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -144.85 150.35 36.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.424 HD11 ' CD1' ' A' ' 34' ' ' LEU . 50.5 mm -101.62 112.11 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.1 mt -127.6 138.94 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -84.57 106.71 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.2 mt -95.66 120.43 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 35.2 mmm-85 -118.4 150.69 39.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.425 ' HE3' ' C ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -108.09 116.1 31.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.9 mt -74.61 108.68 7.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 46.89 31.6 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.8 t30 51.98 36.78 19.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 23.1 tttt -128.05 -41.49 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 1.6 m-70 -122.28 126.87 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.6 t -94.85 115.4 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.8 mmm -120.89 165.98 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.586 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 11.6 m -125.14 165.92 21.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -103.16 109.53 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.424 HG11 ' CD ' ' A' ' 65' ' ' GLU . 26.1 m -119.7 39.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.89 65.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.6 -32.83 2.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.428 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.81 129.22 9.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.586 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 96.0 m95 -105.64 117.53 34.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.709 0.29 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.424 ' CD ' HG11 ' A' ' 60' ' ' VAL . 10.6 pt-20 -115.5 169.63 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -74.27 119.58 18.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -45.25 -49.28 12.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.79 -28.1 54.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.15 -47.62 17.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 2.6 t80 -65.9 -26.87 67.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.98 0.419 . . . . 0.0 110.969 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.407 HD21 ' CZ ' ' A' ' 78' ' ' ARG . 13.0 tp -82.03 -38.37 25.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.53 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -71.5 -42.5 67.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 8.7 ptpt -54.61 -36.73 64.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.468 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 17.1 m80 -87.89 -50.64 6.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' OD1' ' HD2' ' A' ' 76' ' ' PRO . 12.2 t0 -63.18 117.11 30.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.408 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 54.3 Cg_endo -69.7 -34.53 14.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.26 . . . . 0.0 112.385 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.5 p -70.76 -19.78 62.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.407 ' CZ ' HD21 ' A' ' 71' ' ' LEU . 96.3 mtt-85 -87.38 -40.7 14.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mmm -49.71 -21.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.8 mt -80.6 42.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.408 ' C ' HG13 ' A' ' 82' ' ' ILE . 22.2 mt-30 -101.84 -39.87 7.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 83' ' ' SER . 95.7 mt -151.22 144.46 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 82' ' ' ILE . 89.5 p -32.78 122.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -60.43 126.54 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t -97.69 -45.19 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.43 172.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -96.67 -126.02 5.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -132.78 91.18 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.2 m -149.7 105.95 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.5 m -138.68 136.31 18.63 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.674 0.749 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.17 8.85 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.6 p -59.34 163.08 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.26 89.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 118.74 5.86 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.6 p -154.02 114.42 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.788 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 97' ' ' GLY . 68.2 p -123.74 -44.2 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 96' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.8 mp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.859 0.361 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.0 tp -54.48 -53.92 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -56.37 -43.56 79.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.14 -48.85 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.03 -51.57 60.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 10' ' ' LEU . 59.7 t -53.06 -48.92 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -56.15 -49.52 73.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.19 -63.64 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.7 mt -43.49 -51.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.5 p -57.72 -36.41 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -102.69 31.46 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -172.49 104.99 0.34 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 145.47 79.47 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.332 0.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.48 17.68 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.655 2.236 . . . . 0.0 112.371 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.6 t -51.15 122.94 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' CYS . 44.8 mmtm -72.19 -47.41 50.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' LYS . 7.8 m -36.84 152.64 0.1 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 1.04 4.77 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.8 m -131.96 114.26 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -66.65 141.29 57.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -56.32 160.28 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.9 t -86.95 107.08 18.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.5 t -139.13 106.47 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.425 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 1.2 tm-20 -128.79 140.64 51.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.511 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 27.9 ttp180 -84.41 124.34 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.596 HD11 HD12 ' A' ' 45' ' ' ILE . 16.6 mt -105.61 -49.37 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 38' ' ' ARG . 1.6 t -165.47 153.52 11.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' SER . 17.3 mm-40 -34.72 109.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.86 26.53 49.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 15.8 ttt85 -144.77 124.36 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.352 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.511 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 48.3 m-85 -146.02 144.12 29.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -82.95 96.86 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.42 112.98 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.72 -107.95 1.99 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -124.25 25.8 7.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -143.77 158.44 43.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.596 HD12 HD11 ' A' ' 34' ' ' LEU . 47.2 mm -107.43 117.63 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.441 HD11 ' CZ ' ' A' ' 70' ' ' TYR . 38.0 mt -121.08 164.53 16.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.418 ' CZ ' ' NH1' ' A' ' 38' ' ' ARG . 83.6 m-85 -107.42 99.73 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.489 HG12 HG12 ' A' ' 58' ' ' VAL . 62.1 mt -83.66 120.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -114.33 167.7 10.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.8 ttt -128.85 120.24 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.468 HD12 ' HB2' ' A' ' 55' ' ' HIS . 14.8 mt -83.9 113.11 20.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 50.51 36.89 14.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 44.46 34.88 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -130.12 -35.71 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.468 ' HB2' HD12 ' A' ' 51' ' ' LEU . 4.6 m80 -117.18 140.54 49.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.415 HG12 ' HB2' ' A' ' 67' ' ' PHE . 41.3 t -111.71 112.77 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.1 mmm -120.89 165.6 14.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.531 ' C ' ' CE3' ' A' ' 64' ' ' TRP . 3.4 m -127.22 156.78 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.588 ' HG2' ' CZ2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -93.42 112.36 24.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.861 HG22 ' O ' ' A' ' 63' ' ' GLY . 15.6 m -109.65 -176.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -89.6 51.79 3.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.4 36.69 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.861 ' O ' HG22 ' A' ' 60' ' ' VAL . . . 129.06 -162.83 22.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.588 ' CZ2' ' HG2' ' A' ' 59' ' ' ARG . 34.0 m95 -135.39 140.72 45.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.729 0.299 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -126.65 176.39 7.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 69' ' ' GLY . 65.8 p -79.11 121.71 25.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.132 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.451 ' CE2' HG13 ' A' ' 14' ' ' VAL . 31.4 t80 -41.52 -53.39 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.97 -29.35 65.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.712 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -78.44 -38.12 25.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.46 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.4 t80 -68.32 -32.57 72.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 0.0 110.939 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.9 tp -71.44 -49.7 38.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.712 HD23 ' HA2' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -53.67 -37.2 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.411 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 21.6 mtmt -53.6 -57.53 10.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -70.69 -55.28 9.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.36 116.18 13.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -46.73 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.8 p -57.73 -23.16 50.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -83.06 -42.86 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.05 -30.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.655 HD13 ' HB2' ' A' ' 50' ' ' MET . 15.0 tp -64.22 -49.79 70.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.54 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -46.61 -55.18 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.54 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 12.4 t0 -58.78 -44.8 90.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.4 -46.44 83.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.98 -44.0 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -59.97 -47.28 86.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -61.58 -64.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.1 mt -44.86 -49.66 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.409 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 61.0 p -59.15 -34.21 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -103.85 31.96 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 21.1 t0 -174.55 105.11 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.78 144.17 75.95 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.327 0.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.65 14.92 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 16.7 t -53.56 127.7 26.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -78.63 -40.96 32.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -44.55 152.63 0.51 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -1.35 8.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.8 m -134.9 95.87 3.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -54.27 165.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -71.57 168.12 18.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 t -100.56 110.89 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.9 t -136.92 109.78 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.59 143.88 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.554 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -91.15 119.4 31.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.494 HD11 HD12 ' A' ' 45' ' ' ILE . 44.2 mt -104.44 -50.46 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -143.48 171.94 13.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -38.91 -50.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.14 40.34 2.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 26.7 ttt180 -139.68 133.29 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.72 ' HB2' HD12 ' A' ' 48' ' ' ILE . 61.8 m-85 -150.24 159.09 44.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 ttm-85 -95.5 96.34 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -92.67 110.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.73 -110.74 3.61 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -123.94 26.25 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -144.76 155.71 43.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.494 HD12 HD11 ' A' ' 34' ' ' LEU . 27.6 mm -101.51 120.41 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 mt -125.51 155.77 40.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -93.84 100.3 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.755 HG12 HG12 ' A' ' 58' ' ' VAL . 48.4 mt -93.11 117.5 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.558 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 10.7 ptm180 -113.82 169.73 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.655 ' HB2' HD13 ' A' ' 10' ' ' LEU . 8.3 ttt -126.91 117.51 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mt -74.07 103.81 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 56.56 34.32 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 48.92 39.69 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -131.45 -37.9 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -119.84 136.69 54.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.412 HG12 ' HB2' ' A' ' 67' ' ' PHE . 95.3 t -104.55 103.21 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.2 mmm -110.83 165.96 11.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.755 HG12 HG12 ' A' ' 48' ' ' ILE . 14.5 m -126.53 165.51 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -100.5 111.86 24.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.47 ' O ' ' C ' ' A' ' 61' ' ' GLY . 34.4 m -142.38 123.86 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . 32.98 80.94 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . 33.66 46.9 0.43 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.65 157.03 27.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.558 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 98.8 m95 -123.36 122.8 39.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -123.54 170.42 10.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 69' ' ' GLY . 70.4 p -75.33 113.84 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' THR . 33.1 t80 -36.23 -48.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.6 78.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -57.81 -44.66 94.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.4 t80 -67.53 -37.8 83.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.958 0.409 . . . . 0.0 110.935 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 tp -64.14 -53.99 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.758 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -52.74 -39.64 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.411 ' N ' HD12 ' A' ' 72' ' ' LEU . 48.5 mttt -60.39 -63.54 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -55.35 -44.85 76.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.419 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.0 t0 -74.15 118.89 73.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.657 ' O ' HD12 ' A' ' 80' ' ' LEU . 13.8 p -54.51 -38.64 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.419 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 92.0 mtt-85 -60.85 -48.23 82.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.2 mtp -39.74 -36.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 77' ' ' CYS . 18.7 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.871 0.367 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' ' 14' ' ' VAL . 5.6 tp -56.97 -58.9 6.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 0.8 OUTLIER -49.11 -40.2 31.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.831 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -67.82 -41.68 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.37 -27.8 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 10' ' ' LEU . 93.3 t -76.18 -30.36 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -81.72 -40.72 22.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.527 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.3 OUTLIER -63.08 -51.91 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.527 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 92.0 mt -58.06 -37.46 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.429 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 73.9 p -76.13 -21.73 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.43 26.19 10.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 5.7 t0 -173.06 105.0 0.32 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.78 145.77 80.39 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.324 0.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.26 15.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -48.75 103.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -62.7 -37.67 87.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 m -47.69 153.01 1.14 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 3.67 2.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.378 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.6 m -129.82 90.81 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HE3' ' N ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -56.12 113.58 1.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.515 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 2.4 t80 -35.52 153.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.6 t -87.67 108.36 19.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -138.11 105.91 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -134.92 142.77 46.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.557 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 35.7 ttp180 -90.39 128.79 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' A' ' 45' ' ' ILE . 27.9 mt -103.58 -46.93 4.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.06 168.12 28.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -55.12 91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.44 34.88 3.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.525 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.463 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 16.3 ttp180 -159.28 127.23 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 15.4 m-85 -144.03 150.66 38.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -87.11 112.67 22.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.1 t -116.1 105.35 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.05 56.84 22.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 56.82 38.97 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -143.38 152.28 41.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.438 HD12 ' CD1' ' A' ' 34' ' ' LEU . 49.8 mm -107.24 104.78 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.7 mt -113.7 150.4 33.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -99.17 102.23 13.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.791 HG12 HG12 ' A' ' 58' ' ' VAL . 62.1 mt -93.24 124.0 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -111.9 172.61 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.522 ' HB2' HD13 ' A' ' 10' ' ' LEU . 2.8 ttt -129.71 109.12 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.3 mt -70.92 115.21 9.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 47.96 30.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 53.17 35.37 19.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -128.09 -42.23 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -114.39 145.69 41.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.18 106.64 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.8 mmm -112.37 165.92 11.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.791 HG12 HG12 ' A' ' 48' ' ' ILE . 3.2 m -126.35 160.59 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.58 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 11.8 tpt180 -99.53 110.29 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 60' ' ' VAL . 15.4 m -122.68 81.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.58 -94.52 0.75 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.556 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -129.05 45.05 1.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.2 154.24 24.01 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.462 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 90.5 m95 -117.34 128.04 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -125.29 170.49 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.9 p -74.89 117.12 16.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -38.86 -60.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.86 -53.77 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.98 -49.94 28.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.2 t80 -59.47 -23.89 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.925 0.393 . . . . 0.0 110.921 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.05 -33.58 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.563 HD22 ' HB3' ' A' ' 78' ' ' ARG . 3.8 mt -71.5 -51.96 20.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.402 ' CD ' ' HA ' ' A' ' 70' ' ' TYR . 15.9 ptmt -47.5 -42.67 23.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -82.99 -50.21 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.427 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.8 t0 -76.15 119.27 76.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.722 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -51.03 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.426 ' HA ' HD12 ' A' ' 80' ' ' LEU . 11.3 p -55.72 -20.57 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.563 ' HB3' HD22 ' A' ' 72' ' ' LEU . 55.3 mtt-85 -84.3 -49.8 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.2 mmt -54.35 -32.41 56.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 77' ' ' CYS . 19.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 36' ' ' GLN . 26.5 tp -42.17 -59.22 1.85 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -49.99 -56.3 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -40.76 -44.57 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.82 -60.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.554 HG13 ' CE2' ' A' ' 67' ' ' PHE . 58.5 t -46.78 -26.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.19 -42.33 19.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.535 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 3.4 ptm180 -67.89 -50.29 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.535 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 26.0 mt -55.01 -39.4 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.442 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 40.5 p -68.19 -29.37 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -106.59 31.38 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 5.5 t70 -174.95 104.98 0.26 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.9 Cg_endo -69.76 144.81 77.68 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.341 0.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.72 18.09 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.281 . . . . 0.0 112.291 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 t -56.0 115.13 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.7 mmtp -67.89 -47.61 68.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.4 m -37.8 152.66 0.14 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.33 3.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.8 m -141.45 111.29 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -71.06 154.57 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -60.63 162.23 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -86.39 107.21 17.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -133.83 114.73 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -131.65 143.47 50.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.448 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 40.0 ttp180 -77.93 109.83 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' HB2' ' C ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -87.75 -47.59 8.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -167.32 178.59 5.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.456 ' O ' HD23 ' A' ' 10' ' ' LEU . 15.6 pt20 -39.69 -45.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.97 36.86 2.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.599 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 5.9 ttp180 -137.63 145.05 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 38' ' ' ARG . 88.6 m-85 -161.67 133.72 5.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -79.07 118.55 21.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.9 t -125.63 121.88 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.08 46.09 42.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 63.24 38.11 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -141.66 152.15 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mm -107.95 99.93 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.5 mt -112.89 148.62 34.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -96.14 101.51 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.775 HG12 HG12 ' A' ' 58' ' ' VAL . 65.2 mt -84.45 122.54 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.4 mtp-105 -119.12 151.61 37.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.0 ttt -116.27 121.6 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 mt -84.67 109.48 18.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.432 ' C ' ' CG ' ' A' ' 53' ' ' ASN . 39.9 m-70 53.08 35.56 19.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' CG ' ' C ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER 46.88 30.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -120.46 -33.96 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -120.28 149.73 41.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.1 t -121.45 96.84 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.468 ' SD ' HG22 ' A' ' 66' ' ' THR . 14.5 mmm -105.94 164.74 11.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.775 HG12 HG12 ' A' ' 48' ' ' ILE . 16.1 m -128.16 154.25 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.56 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 6.9 tmm_? -87.11 100.56 12.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.767 HG23 HG23 ' A' ' 58' ' ' VAL . 98.5 t -118.15 118.55 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -30.95 108.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.12 -22.29 8.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.517 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 168.36 -150.61 16.54 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 52.1 m95 -137.54 128.81 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.296 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.72 173.19 6.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.468 HG22 ' SD ' ' A' ' 57' ' ' MET . 69.8 p -80.63 119.6 23.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE2' HG13 ' A' ' 14' ' ' VAL . 28.5 t80 -40.86 -50.95 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.88 -32.0 69.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -76.23 -35.97 41.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.4 t80 -71.71 -33.18 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.942 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.0 tp -71.09 -53.7 13.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.754 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.69 -35.76 68.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -54.72 -50.78 67.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -76.94 -48.23 18.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.429 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.4 t0 -65.67 118.17 48.68 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.39 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.378 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.415 ' O ' HD12 ' A' ' 80' ' ' LEU . 12.6 p -55.03 -35.15 64.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 18' ' ' SER . 68.9 mtt-85 -63.31 -46.41 86.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 80' ' ' LEU . 9.6 mmt -40.86 -36.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 79' ' ' MET . 15.3 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.838 0.351 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' A' ' 50' ' ' MET . 53.8 tp -45.69 -56.51 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -52.32 -53.47 43.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -46.37 -43.04 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.5 -66.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.614 HG13 ' CE2' ' A' ' 67' ' ' PHE . 94.4 t -41.23 -51.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -59.27 -47.49 85.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 -60.73 -35.12 75.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.0 mt -70.47 -48.78 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.3 p -60.43 -35.5 75.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -88.58 -24.8 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 1.2 m-20 -135.98 114.34 10.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HG2' ' NH1' ' A' ' 78' ' ' ARG . 54.2 Cg_endo -69.79 141.48 66.08 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.342 0.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.18 27.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.12 114.73 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' CYS . 1.7 mptt -69.47 -48.9 59.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 3.9 m -37.84 153.3 0.13 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.875 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 3.29 2.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.3 m -125.41 86.55 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 tppp? -54.94 132.88 47.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.61 144.89 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.97 109.33 20.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.1 t -136.42 105.79 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -135.2 156.24 49.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.578 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 14.6 ttm180 -82.0 134.7 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.488 HD13 HD12 ' A' ' 45' ' ' ILE . 13.2 mt -118.15 -47.0 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -141.44 173.42 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -39.45 -50.73 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.63 39.03 2.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.59 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 22.3 ttp180 -133.87 141.0 47.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 19.9 m-85 -150.94 144.07 24.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.458 HH21 HD11 ' A' ' 45' ' ' ILE . 13.4 ttm180 -79.99 120.66 24.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.3 t -121.51 88.71 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 61.98 78.33 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 16.9 pt-20 43.85 33.26 0.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 110.954 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.42 145.88 37.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.488 HD12 HD13 ' A' ' 34' ' ' LEU . 51.6 mm -110.16 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.7 mt -111.5 158.24 19.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.08 98.07 8.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.584 HD12 ' HB2' ' A' ' 39' ' ' TYR . 66.3 mt -90.26 128.33 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.409 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 3.1 mmp_? -119.11 172.84 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.515 ' HB2' HD13 ' A' ' 10' ' ' LEU . 7.7 ttt -134.47 117.91 16.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 mt -84.61 112.83 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 48.04 38.42 9.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 44.1 37.74 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -131.66 -33.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -120.98 142.33 49.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.8 t -116.84 103.08 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mtt -109.27 163.22 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.483 HG12 HG12 ' A' ' 48' ' ' ILE . 2.8 m -129.33 157.99 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.534 ' HD3' ' CE2' ' A' ' 64' ' ' TRP . 10.6 tpt180 -97.94 102.44 14.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 63' ' ' GLY . 15.3 m -87.52 -25.17 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.05 -41.23 1.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.417 ' H ' HG23 ' A' ' 60' ' ' VAL . . . -126.6 35.72 2.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.65 ' O ' HG22 ' A' ' 60' ' ' VAL . . . 147.48 145.77 4.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.534 ' CE2' ' HD3' ' A' ' 59' ' ' ARG . 61.1 m95 -92.66 118.69 31.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.727 0.299 . . . . 0.0 110.938 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.633 ' OE2' HG11 ' A' ' 60' ' ' VAL . 10.7 pt-20 -110.42 166.48 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 69' ' ' GLY . 32.2 p -74.57 121.6 21.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.189 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.614 ' CE2' HG13 ' A' ' 14' ' ' VAL . 22.8 t80 -38.64 -54.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.77 -38.28 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -65.44 -45.81 88.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.505 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 1.9 t80 -67.61 -35.88 79.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.898 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.3 tp -72.63 -51.99 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 72' ' ' LEU . 1.2 pp -61.81 -38.72 89.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.423 ' N ' HD12 ' A' ' 72' ' ' LEU . 31.9 mttt -53.0 -50.62 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -77.25 -43.03 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -69.9 116.4 43.49 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -43.8 2.52 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.716 2.278 . . . . 0.0 112.369 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.8 p -60.42 -28.4 68.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' NH1' ' HG2' ' A' ' 21' ' ' PRO . 95.1 mtt-85 -75.99 -50.36 15.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.4 mmm -48.68 -27.4 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.6 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 53' ' ' ASN . 9.3 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.539 HD11 HG22 ' A' ' 48' ' ' ILE . 9.9 tp -55.98 -56.93 14.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -39.28 -58.62 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -42.64 -43.91 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.561 ' HB1' ' CG2' ' A' ' 56' ' ' VAL . . . -67.39 -70.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.61 HG13 ' CE2' ' A' ' 67' ' ' PHE . 63.8 t -41.32 -50.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -58.7 -49.9 75.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -57.55 -39.84 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.3 mt -70.0 -47.4 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.5 p -60.48 -33.99 73.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -90.1 -24.08 21.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -136.63 112.99 9.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.637 0.732 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HG2' ' NH1' ' A' ' 78' ' ' ARG . 54.0 Cg_endo -69.74 142.08 68.55 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.337 -0.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.86 31.66 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.92 115.39 4.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' CYS . 27.2 mmtp -63.99 -49.75 71.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.3 m -37.2 147.6 0.22 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.03 3.04 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.264 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.9 m -131.57 108.12 9.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.04 136.43 56.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -52.33 164.15 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -92.24 110.41 21.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.5 t -138.89 105.8 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -137.2 132.49 33.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -69.97 137.01 51.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.575 HD11 HD12 ' A' ' 45' ' ' ILE . 18.4 mt -113.02 -46.46 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -154.12 177.06 11.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -56.87 98.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.2 34.26 9.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.442 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 40.3 ttp180 -147.06 131.4 17.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 15.2 m-85 -141.74 149.72 40.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -87.31 107.77 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.2 t -101.77 110.22 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.33 -106.56 0.96 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -123.89 29.26 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.841 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -144.86 153.19 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.575 HD12 HD11 ' A' ' 34' ' ' LEU . 46.1 mm -104.43 122.93 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 mt -134.23 158.46 43.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.423 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 72.6 m-85 -101.44 106.79 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.72 HG12 HG12 ' A' ' 58' ' ' VAL . 69.5 mt -95.39 129.53 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.547 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 74.6 mtt-85 -126.47 145.94 50.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.463 ' CE ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -106.43 125.22 50.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.467 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 5.3 mp -89.85 107.09 18.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 49.88 35.23 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.547 ' HB2' HD11 ' A' ' 9' ' ' LEU . 13.3 t-20 46.44 37.6 4.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.457 ' N ' ' HE3' ' A' ' 50' ' ' MET . 40.8 tttp -129.1 -38.28 1.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.404 ' C ' ' HE1' ' A' ' 50' ' ' MET . 0.2 OUTLIER -124.16 122.61 38.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 67' ' ' PHE . 91.6 t -97.87 108.49 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.467 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 5.2 mtp -114.69 166.5 11.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.72 HG12 HG12 ' A' ' 48' ' ' ILE . 6.4 m -132.9 160.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 9.4 tpt180 -95.18 106.26 18.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 60' ' ' VAL . 18.4 m -111.47 78.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.21 -51.05 3.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.95 -33.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.48 -177.84 51.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.581 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 93.9 m95 -136.84 113.45 10.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -112.37 169.86 8.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' GLY . 70.1 p -74.57 118.5 17.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.612 ' HB2' HG12 ' A' ' 56' ' ' VAL . 21.2 t80 -38.06 -53.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.06 -37.37 64.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.601 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -64.62 -41.18 97.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.463 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.4 t80 -71.82 -34.47 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.928 0.394 . . . . 0.0 110.94 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -70.77 -36.25 72.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.67 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -63.34 -43.57 97.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 6.3 mtpm? -47.61 -53.31 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -76.85 -50.45 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.418 ' OD2' ' NE ' ' A' ' 78' ' ' ARG . 9.4 t0 -61.22 116.95 22.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.248 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.7 p -55.77 -27.41 50.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 80' ' ' LEU . 95.4 mtt-85 -80.17 -41.38 25.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 14.8 mtt -39.98 -25.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 78' ' ' ARG . 20.7 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.864 0.364 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 50' ' ' MET . 11.6 tp -42.97 -45.13 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -53.18 -55.27 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -46.3 -49.14 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.7 -61.5 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 10' ' ' LEU . 78.9 t -44.76 -47.8 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -57.76 -48.09 80.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 19' ' ' GLU . 87.7 mtm180 -62.12 -63.07 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.1 mt -43.3 -44.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.2 p -67.52 -31.52 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ARG . 12.4 mt-10 -105.76 25.04 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 4.8 t70 -169.95 104.99 0.45 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.84 146.25 81.83 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.3 0.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 129.58 17.78 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.8 t -54.11 113.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.5 mmtp -61.27 -49.52 76.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' LYS . 8.8 m -36.72 152.07 0.11 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 0.92 4.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.312 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.5 m -140.78 108.7 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.39 167.47 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -72.49 174.29 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.13 107.18 19.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.8 t -137.84 107.5 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.12 122.4 28.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 39' ' ' TYR . 10.9 ttm180 -69.48 111.43 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 40' ' ' ARG . 3.9 mp -85.54 -45.0 12.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m -171.1 -178.02 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -44.23 115.69 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.56 42.75 99.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -147.37 124.35 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 34.0 m-85 -143.37 133.57 24.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.406 ' N ' HD11 ' A' ' 34' ' ' LEU . 30.5 ttm180 -78.33 96.67 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -93.19 116.58 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.88 -109.06 2.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -125.66 26.34 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -143.51 163.51 32.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 mm -109.22 119.76 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.4 mt -124.04 153.36 41.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -98.33 106.41 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.81 HG12 HG12 ' A' ' 58' ' ' VAL . 83.5 mt -93.16 113.88 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -110.89 151.95 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.451 ' HB2' HD13 ' A' ' 10' ' ' LEU . 8.9 ttt -113.24 123.44 50.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 55' ' ' HIS . 20.3 mt -76.65 111.0 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.2 m170 50.05 27.13 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 58.16 33.01 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -122.32 -41.01 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.516 ' HB2' HD12 ' A' ' 51' ' ' LEU . 3.7 m80 -119.36 139.97 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.424 HG12 ' HB2' ' A' ' 67' ' ' PHE . 91.4 t -105.28 112.23 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.4 mtp -122.02 165.99 15.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.81 HG12 HG12 ' A' ' 48' ' ' ILE . 3.3 m -128.63 157.06 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -96.63 103.66 15.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.8 HG11 ' OE2' ' A' ' 65' ' ' GLU . 32.9 m -114.4 39.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 62' ' ' GLY . . . 67.17 -83.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.478 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . -37.2 -44.71 1.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 179.79 -150.72 9.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.515 ' CE3' ' C ' ' A' ' 58' ' ' VAL . 85.7 m95 -112.97 136.06 53.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.8 ' OE2' HG11 ' A' ' 60' ' ' VAL . 14.1 pt-20 -132.46 167.26 20.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' GLY . 60.0 p -74.45 117.29 16.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.429 ' CE2' HG13 ' A' ' 14' ' ' VAL . 26.3 t80 -39.75 -57.33 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.74 -32.43 30.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -69.64 -52.3 21.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.425 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.508 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.0 t80 -59.07 -26.83 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.68 -48.34 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.754 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.07 -40.76 74.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.426 ' N ' HD12 ' A' ' 72' ' ' LEU . 21.5 mtpp -48.44 -55.46 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -74.04 -51.83 14.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.421 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 8.8 t0 -60.13 117.62 25.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.45 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.394 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.1 p -54.53 -31.14 55.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' LEU . 87.0 mtt-85 -74.61 -47.99 29.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.94 -24.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 78' ' ' ARG . 29.0 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.8 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.86 0.362 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.4 tp -48.03 -46.21 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 12' ' ' ASP . 15.5 t0 -53.3 -66.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 11' ' ' ASP . 6.3 t70 -34.42 -42.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.07 -59.14 3.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.674 HG13 ' CE2' ' A' ' 67' ' ' PHE . 85.2 t -51.11 -48.37 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -60.97 -47.42 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -59.73 -59.49 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.4 mt -48.63 -45.24 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.2 p -64.43 -33.79 76.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -102.38 27.72 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.3 m-20 -171.52 105.04 0.38 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.5 Cg_endo -69.73 146.22 81.5 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.328 -0.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 129.93 18.38 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.8 t -50.43 119.35 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -70.52 -44.2 68.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -43.07 153.71 0.33 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.83 2.52 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.4 m -138.46 122.2 17.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 29' ' ' PHE . 10.3 tptm -77.19 151.0 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.443 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 3.3 t80 -61.77 178.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -105.2 107.18 18.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.6 t -138.12 109.87 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -136.33 119.17 16.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 33.8 ttp180 -66.87 119.4 11.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.53 HD13 ' HG2' ' A' ' 38' ' ' ARG . 3.5 mp -96.69 -42.39 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.4 m -142.36 178.4 7.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -44.43 -48.51 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.24 45.16 1.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.53 ' HG2' HD13 ' A' ' 34' ' ' LEU . 17.8 ttp180 -142.27 134.87 28.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 33' ' ' ARG . 40.9 m-85 -145.54 134.82 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -78.59 95.22 5.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' LYS . 86.7 t -100.61 136.93 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 35.16 63.17 0.55 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 14.6 pt-20 44.86 37.32 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.382 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.7 mttp -142.3 150.72 41.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.7 mm -101.44 106.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.2 mt -119.66 141.59 49.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -90.2 102.8 15.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.785 HG12 HG12 ' A' ' 58' ' ' VAL . 89.3 mt -90.82 130.69 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -121.02 172.85 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.3 ttt -129.17 107.38 9.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.6 mt -70.66 112.87 7.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.443 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 14.8 m170 49.16 34.92 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 4.8 p-10 47.25 35.41 3.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' CE ' ' HB3' ' A' ' 52' ' ' HIS . 30.0 mtmt -128.15 -38.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -116.27 149.0 39.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -117.58 100.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.5 mmm -108.89 165.79 11.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.785 HG12 HG12 ' A' ' 48' ' ' ILE . 4.7 m -122.77 164.3 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.55 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -108.26 107.87 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 61' ' ' GLY . 10.2 m -107.05 -176.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -35.06 -54.46 0.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.449 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -152.28 86.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.38 176.77 14.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.512 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.55 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 61.7 m95 -133.44 126.11 30.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -120.42 171.55 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' GLY . 49.6 p -75.5 117.1 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.674 ' CE2' HG13 ' A' ' 14' ' ' VAL . 26.3 t80 -37.24 -44.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.82 92.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.821 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -61.08 -40.78 99.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.548 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 4.2 t80 -66.07 -34.27 77.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.892 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 tp -70.3 -45.93 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.821 HD23 ' HA2' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -55.48 -39.69 70.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.471 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 70.4 mttt -54.62 -59.12 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -65.64 -50.18 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.431 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 7.6 t0 -70.48 118.64 66.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.724 2.283 . . . . 0.0 112.318 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.8 p -55.47 -21.91 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.431 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 87.0 mtt-85 -78.8 -34.32 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.7 mmt -50.57 -17.71 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 36' ' ' GLN . 15.6 tp -81.42 -44.18 17.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -52.92 -46.27 67.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -46.81 -47.8 20.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.44 -52.29 58.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.539 HG13 ' CE2' ' A' ' 67' ' ' PHE . 98.0 t -51.96 -49.73 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -67.26 -45.2 77.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 6.9 mtp-105 -57.81 -40.01 78.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.5 mt -69.45 -50.11 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.3 p -61.13 -33.27 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -87.2 -27.51 22.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -134.53 114.92 12.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 140.94 63.54 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.351 0.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 128.27 15.73 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.8 t -57.42 115.38 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' CYS . 30.7 mmtp -62.81 -50.37 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.5 m -36.56 152.49 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.08 6.17 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.306 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.0 m -142.83 105.92 4.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -62.28 160.54 12.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.93 166.17 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 40' ' ' ARG . 3.3 t -84.24 110.04 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 91.3 t -135.35 105.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -126.0 120.73 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.531 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 27.4 ttm180 -64.08 126.88 29.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.7 mt -112.1 -45.86 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.2 m -154.96 175.67 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.569 ' O ' HD23 ' A' ' 10' ' ' LEU . 21.3 pt20 -40.3 -51.91 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.35 41.86 1.81 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.515 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 6.8 ttt180 -144.61 135.02 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 30.2 m-85 -149.54 159.72 44.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 25.5 ttt180 -87.99 111.77 21.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.5 t -115.54 127.03 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.72 53.88 2.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 55.99 37.88 29.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -142.43 147.2 35.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.1 mm -97.7 101.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.667 HD22 HG12 ' A' ' 60' ' ' VAL . 25.2 mt -117.66 141.51 48.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -84.14 120.7 26.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.783 HG12 HG12 ' A' ' 58' ' ' VAL . 78.4 mt -107.71 117.54 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -109.08 172.45 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.485 ' HB2' HD13 ' A' ' 10' ' ' LEU . 7.0 ttt -128.06 121.02 28.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 mt -79.43 107.35 12.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 51.21 32.72 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m120 53.28 35.48 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -125.06 -41.94 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -121.71 150.19 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.5 t -115.93 111.96 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.9 mmm -112.32 165.11 12.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.783 HG12 HG12 ' A' ' 48' ' ' ILE . 4.6 m -125.9 151.87 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.557 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -95.91 106.39 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.667 HG12 HD22 ' A' ' 46' ' ' LEU . 26.1 m -141.95 132.96 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 62' ' ' GLY . . . 33.57 78.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . 30.11 41.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.561 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . -151.46 135.51 5.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.427 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 85.8 m95 -110.88 122.3 47.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -125.83 172.87 9.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 69' ' ' GLY . 71.9 p -74.82 118.49 17.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CE2' HG13 ' A' ' 14' ' ' VAL . 23.5 t80 -36.65 -56.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.66 62.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -66.14 -34.73 89.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.494 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 8.5 t80 -78.95 -24.01 44.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 tp -84.44 -42.75 15.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.71 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -69.49 -41.6 75.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' N ' HD12 ' A' ' 72' ' ' LEU . 12.4 ptmt -59.88 -37.36 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -80.15 -48.7 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 2.2 t70 -72.1 129.76 87.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -55.57 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.305 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.4 p -52.96 -27.25 18.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.446 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 84.2 mtt-85 -75.19 -42.84 54.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.494 ' HE3' ' HA ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -46.28 -27.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.88 0.371 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.665 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.7 tp -55.36 -60.08 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -39.3 -54.44 1.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -56.64 -53.0 62.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -23.26 63.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' LEU . 98.6 t -81.4 -32.33 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.187 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -79.88 -40.94 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.524 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 11.4 ptm180 -55.75 -47.33 77.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.524 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 60.7 mt -61.51 -47.02 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.0 p -64.13 -25.25 68.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -107.15 26.05 10.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.447 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 33.5 t70 -174.9 105.01 0.26 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.4 Cg_endo -69.76 146.55 82.51 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.314 -0.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 128.96 16.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.4 ' HB3' ' HZ2' ' A' ' 28' ' ' LYS . 39.4 t -51.56 109.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -61.28 -43.99 97.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -42.36 152.95 0.32 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.67 2.65 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.329 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.1 m -143.61 110.68 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HZ2' ' HB3' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -64.96 153.71 39.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -60.38 171.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 t -100.05 108.66 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.0 t -134.09 106.21 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -122.66 141.48 51.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.411 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 58.7 ttt-85 -88.77 126.7 35.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.723 HD11 HD12 ' A' ' 45' ' ' ILE . 19.7 mt -103.59 -48.88 3.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.7 m -164.7 -179.76 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -58.05 95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.44 39.31 4.78 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.613 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.4 tpt180 -159.14 129.82 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.823 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 18.1 m-85 -151.83 151.39 31.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 43' ' ' GLU . 15.2 ttt85 -89.91 104.44 17.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.43 HG11 ' CE1' ' A' ' 70' ' ' TYR . 96.9 t -103.25 110.22 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.8 55.47 27.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 40' ' ' ARG . 39.7 mt-10 56.98 36.84 28.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 110.868 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -143.5 143.28 31.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.723 HD12 HD11 ' A' ' 34' ' ' LEU . 38.3 mm -97.88 103.91 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.414 HD11 ' CZ ' ' A' ' 70' ' ' TYR . 33.9 mt -118.63 137.01 53.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -77.87 121.95 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.771 HG12 HG12 ' A' ' 58' ' ' VAL . 76.0 mt -113.62 123.09 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 6.3 ptm85 -114.92 172.67 6.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.428 ' HB2' HD13 ' A' ' 10' ' ' LEU . 6.3 ttt -131.14 124.54 30.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -88.92 110.07 20.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 53.13 33.51 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 48.96 37.49 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -130.2 -38.93 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -118.02 143.01 46.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.2 t -114.24 100.57 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.4 mtt -102.24 165.82 10.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.771 HG12 HG12 ' A' ' 48' ' ' ILE . 14.2 m -127.96 162.1 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 12.3 tpt180 -105.0 104.31 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.44 HG13 HG23 ' A' ' 58' ' ' VAL . 30.1 m -122.7 158.58 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.52 100.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.31 -40.79 1.51 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.61 -159.41 32.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 73.7 m95 -105.98 142.02 36.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.691 0.281 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -137.63 170.41 16.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 69' ' ' GLY . 59.7 p -75.76 121.21 22.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.438 ' CE2' HG13 ' A' ' 14' ' ' VAL . 28.4 t80 -41.63 -48.57 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.25 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -69.41 -47.09 53.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 1.7 t80 -62.57 -33.87 75.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.929 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 tp -69.79 -47.2 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.788 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -62.06 -38.17 87.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -53.75 -52.64 59.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -74.68 -52.16 12.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.423 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 8.6 t0 -61.54 117.43 27.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.712 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -47.75 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.344 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.7 p -57.22 -35.61 69.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 80.4 mtt-85 -64.04 -46.68 83.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 mmt -39.86 -29.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.4 mm? . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.862 0.363 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.3 tp -42.44 -68.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -41.42 -63.47 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.4 -58.06 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.02 -56.97 7.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.683 HG13 ' CE2' ' A' ' 67' ' ' PHE . 86.9 t -46.64 -38.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -67.94 -46.24 72.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -47.27 -58.92 3.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.517 HG21 ' HB2' ' A' ' 68' ' ' ALA . 18.4 mt -54.39 -44.39 66.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 p -65.17 -25.58 67.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -110.4 25.66 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -175.15 104.99 0.26 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 110.86 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.7 Cg_endo -69.79 146.59 82.69 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.65 16.35 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.625 2.217 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.2 t -50.72 111.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.4 mmtm -58.86 -51.98 67.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.4 m -36.41 153.13 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -0.21 6.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.1 t -128.79 139.37 52.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.91 151.24 21.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.73 169.56 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' O ' ' A' ' 40' ' ' ARG . 1.8 t -95.21 109.29 21.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.8 t -139.18 106.12 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -138.35 136.85 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -77.28 122.37 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.696 HD11 HD12 ' A' ' 45' ' ' ILE . 11.4 mt -96.97 -49.0 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.6 m -158.92 178.24 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -50.04 111.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.12 38.35 73.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -147.29 126.32 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -140.01 144.93 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 30' ' ' CYS . 18.5 ttp180 -83.23 102.83 12.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.2 t -99.82 115.97 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.31 -114.16 5.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -119.18 28.27 8.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -144.58 161.05 40.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.696 HD12 HD11 ' A' ' 34' ' ' LEU . 48.3 mm -107.71 126.56 64.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.4 mt -133.35 166.09 23.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -109.66 99.46 8.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.837 HG12 HG12 ' A' ' 58' ' ' VAL . 88.6 mt -89.47 129.19 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -129.93 167.14 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.8 ttt -117.03 95.9 5.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.841 HD21 ' HG3' ' A' ' 57' ' ' MET . 0.1 OUTLIER -67.83 117.08 9.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 60.39 27.86 17.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.5 m120 41.97 29.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -127.06 -33.46 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.483 ' HB2' ' CD1' ' A' ' 51' ' ' LEU . 98.4 m-70 -121.51 135.89 54.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.6 t -104.74 103.72 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.841 ' HG3' HD21 ' A' ' 51' ' ' LEU . 5.5 mtt -111.13 165.89 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.837 HG12 HG12 ' A' ' 48' ' ' ILE . 4.0 m -123.01 162.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.564 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -103.83 101.89 11.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 60' ' ' VAL . 4.4 m -101.92 40.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.43 -80.11 1.45 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.0 60.66 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.9 165.35 13.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.534 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.592 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 62.9 m95 -135.99 121.96 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.51 ' OE2' HG11 ' A' ' 60' ' ' VAL . 10.7 pt-20 -118.6 171.08 8.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 69' ' ' GLY . 43.6 p -75.37 120.41 20.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.683 ' CE2' HG13 ' A' ' 14' ' ' VAL . 40.2 t80 -38.12 -46.9 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' A' ' 17' ' ' ILE . . . -60.04 -37.97 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.507 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -68.79 -35.8 80.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.9 t80 -72.15 -35.93 69.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 0.0 110.945 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.16 -50.14 43.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.625 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.31 -39.12 72.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -51.16 -54.31 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -72.67 -53.94 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.425 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.5 t0 -57.17 118.21 22.9 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -47.5 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.0 p -57.72 -35.64 70.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.425 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 68.3 mtt-85 -66.42 -42.67 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.6 mtt -40.42 -29.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.87 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' LEU . 9.0 mp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.6 tp -37.13 -61.31 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.509 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -41.92 -53.42 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.509 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 7.1 t70 -53.65 -49.38 68.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HA ' ' CD ' ' A' ' 16' ' ' ARG . . . -66.42 -22.23 66.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 10' ' ' LEU . 99.1 t -82.96 -35.38 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -76.06 -38.1 57.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.496 ' CD ' ' HA ' ' A' ' 13' ' ' ALA . 25.8 ptt180 -56.74 -47.67 79.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.483 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 61.0 mt -61.81 -50.04 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 11.0 p -59.72 -31.95 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.39 -25.11 22.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 1.2 t70 -136.08 114.12 10.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.8 140.54 61.29 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.349 0.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 132.81 24.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 15.7 t -58.64 116.04 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 25' ' ' CYS . 41.9 mmtm -65.66 -50.16 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.4 m -35.05 152.65 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.98 3.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.6 m -137.46 127.84 26.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.06 152.27 27.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -64.28 168.9 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.48 107.38 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.1 t -137.42 105.72 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -125.18 148.46 48.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -86.3 121.29 28.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.553 HD13 HD12 ' A' ' 45' ' ' ILE . 19.0 mt -104.34 -47.58 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -148.76 176.36 10.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -41.19 -50.47 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.02 40.31 2.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.48 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 8.7 ttm180 -138.48 136.13 35.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 35.7 m-85 -148.21 149.66 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -89.17 103.9 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -109.34 125.75 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.19 52.78 6.94 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 56.52 41.32 28.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -143.87 151.72 40.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.553 HD12 HD13 ' A' ' 34' ' ' LEU . 27.3 mm -104.76 106.43 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 mt -123.63 152.79 41.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -100.17 103.09 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.756 HG12 HG12 ' A' ' 58' ' ' VAL . 52.6 mt -91.41 133.75 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.165 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.561 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 11.7 ptp180 -124.38 153.12 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.498 ' HE1' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -116.42 117.52 30.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -92.23 127.39 37.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.454 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 11.2 m-70 47.08 29.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 3.2 p-10 46.8 33.13 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 2.4 ptmm? -135.03 -38.38 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.788 ' HB2' HD12 ' A' ' 51' ' ' LEU . 33.6 m-70 -103.23 124.62 48.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.498 HG23 ' HE1' ' A' ' 50' ' ' MET . 93.2 t -107.79 99.64 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.42 ' SD ' HG22 ' A' ' 66' ' ' THR . 7.4 mmm -110.88 166.22 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.756 HG12 HG12 ' A' ' 48' ' ' ILE . 8.8 m -127.51 151.94 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.526 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 3.2 tmm_? -92.89 115.56 28.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 60' ' ' VAL . 17.5 m -125.12 52.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.3 -105.29 2.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.09 50.12 0.82 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.573 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -180.0 146.74 7.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.561 ' CZ3' ' HG2' ' A' ' 49' ' ' ARG . 94.0 m95 -117.7 129.3 55.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -127.66 164.75 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' GLY . 39.5 p -75.37 123.25 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.45 ' HB2' HG12 ' A' ' 56' ' ' VAL . 23.4 t80 -38.46 -48.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.41 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -61.34 -43.36 99.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.502 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 6.9 t80 -72.98 -24.5 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.932 0.396 . . . . 0.0 110.934 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.427 HD23 ' CZ ' ' A' ' 78' ' ' ARG . 10.8 tp -85.25 -33.07 22.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.763 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -73.16 -38.72 66.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -59.83 -41.93 92.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -80.86 -47.81 13.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.428 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.9 t0 -70.67 119.21 71.37 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.601 0.715 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 54.1 Cg_endo -69.73 -47.08 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.5 p -58.58 -32.11 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.428 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 87.9 mtt-85 -66.89 -45.89 76.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.0 ttt -45.58 -43.73 12.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 79' ' ' MET . 17.7 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 24.4 tp -43.94 -57.83 3.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.58 -58.43 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.27 -40.99 1.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.85 -53.94 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -49.34 -51.03 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -55.12 -47.65 74.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -61.72 -57.46 11.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 mt -47.35 -47.74 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.435 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 62.5 p -67.47 -28.86 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -110.23 29.23 7.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.3 t70 -175.08 105.01 0.26 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.8 Cg_endo -69.79 145.0 78.27 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.356 -0.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.46 17.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.9 t -55.57 125.0 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' CYS . 55.7 mmtt -78.05 -46.97 19.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.6 m -37.51 153.23 0.12 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 3.92 2.52 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.5 m -131.21 119.12 21.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -76.2 150.21 37.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -66.49 158.49 29.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.9 t -89.34 106.91 18.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 71.5 t -136.36 105.25 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -128.17 133.85 48.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -81.15 129.3 34.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.455 ' CD1' HD12 ' A' ' 45' ' ' ILE . 15.5 mt -114.44 -50.72 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.7 m -149.54 174.99 11.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.12 90.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.421 ' HA2' HD21 ' A' ' 10' ' ' LEU . . . 111.28 -33.04 6.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.481 ' CZ ' HG21 ' A' ' 45' ' ' ILE . 17.6 ttt180 -79.42 133.59 36.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.822 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.558 ' HB2' HD12 ' A' ' 48' ' ' ILE . 47.7 m-85 -148.43 147.6 29.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 46.1 ttt85 -85.44 107.86 17.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.8 t -116.17 121.87 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 49.93 59.31 7.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 19.5 pt-20 46.87 38.73 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -144.76 147.75 33.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.481 HG21 ' CZ ' ' A' ' 38' ' ' ARG . 42.0 mm -97.51 115.77 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.0 mt -127.2 142.45 51.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -89.21 97.99 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.558 HD12 ' HB2' ' A' ' 39' ' ' TYR . 79.5 mt -86.79 133.16 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -119.42 172.42 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 10' ' ' LEU . 3.8 ttt -134.22 103.41 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.62 114.62 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 45.75 34.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m120 48.07 36.99 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -126.77 -37.89 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -120.04 149.35 42.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.5 t -115.62 115.86 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.435 ' SD ' HG22 ' A' ' 66' ' ' THR . 21.4 mmm -125.39 156.1 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.428 HG23 HG13 ' A' ' 60' ' ' VAL . 1.0 OUTLIER -117.14 151.05 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.16 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -88.54 134.06 33.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.551 HG11 ' OE2' ' A' ' 65' ' ' GLU . 33.4 m -146.76 130.81 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . 34.04 -91.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 60' ' ' VAL . . . -135.42 52.22 0.8 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -172.92 176.78 45.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 59' ' ' ARG . 65.7 m95 -137.34 124.4 21.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.769 0.318 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.551 ' OE2' HG11 ' A' ' 60' ' ' VAL . 1.4 pm0 -112.3 -173.95 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.435 HG22 ' SD ' ' A' ' 57' ' ' MET . 38.9 p -94.53 111.46 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' THR . 32.0 t80 -35.88 -56.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.99 -50.35 61.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.15 -39.36 97.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.3 t80 -64.62 -31.1 72.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.943 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.9 tp -69.92 -37.38 75.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -64.84 -48.6 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -47.49 -50.54 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -72.14 -57.5 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.436 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.0 t0 -69.46 119.55 71.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.74 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -52.04 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.317 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.465 ' O ' HD12 ' A' ' 80' ' ' LEU . 10.0 p -53.88 -35.33 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 50.2 mtt-85 -64.17 -55.06 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' LEU . 5.3 mmt -39.75 -37.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 77' ' ' CYS . 62.1 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 9' ' ' LEU . 4.0 tt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.652 HD13 ' HB2' ' A' ' 50' ' ' MET . 7.0 tp -44.71 -63.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.54 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -34.56 -55.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.54 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 12.6 t0 -60.46 -47.26 86.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.492 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . . . -63.64 -23.52 67.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 10' ' ' LEU . 96.2 t -81.43 -36.0 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -75.37 -40.14 58.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 7.6 ptp180 -56.47 -48.01 78.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.527 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 68.9 mt -58.46 -39.57 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.451 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 13.1 p -72.89 -21.82 60.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -111.55 24.02 13.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 20.8 m-20 -174.05 105.44 0.29 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.77 144.54 76.94 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.314 0.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.05 16.95 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.234 . . . . 0.0 112.383 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.0 t -56.0 113.98 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' CYS . 12.1 mmtp -71.19 -46.41 61.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.8 m -35.7 153.55 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.88 2.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.727 2.284 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 m -140.08 121.57 15.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -76.2 162.38 28.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -75.31 174.66 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.19 107.47 19.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.6 t -137.35 105.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -130.2 154.78 47.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -95.27 128.81 42.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.455 HD13 HD12 ' A' ' 45' ' ' ILE . 7.0 mt -116.25 -44.36 2.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.1 m -156.0 168.94 25.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -53.81 101.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.14 -15.88 61.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -96.39 133.76 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -151.31 146.55 26.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -79.77 123.85 28.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -127.44 118.57 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.05 47.98 19.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 61.92 39.53 13.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -143.8 145.04 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.455 HD12 HD13 ' A' ' 34' ' ' LEU . 49.1 mm -98.04 105.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.8 mt -118.87 158.78 25.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -102.42 102.33 12.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.775 HG12 HG12 ' A' ' 58' ' ' VAL . 80.1 mt -89.92 114.18 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -107.54 170.71 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.652 ' HB2' HD13 ' A' ' 10' ' ' LEU . 6.8 ttt -131.34 118.22 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.412 HD12 ' HB2' ' A' ' 55' ' ' HIS . 12.9 mt -79.49 109.48 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 54.39 30.71 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 51.85 36.66 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -128.09 -41.61 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.412 ' HB2' HD12 ' A' ' 51' ' ' LEU . 19.2 m-70 -116.09 139.12 50.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.19 111.37 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mtp -115.34 165.91 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.775 HG12 HG12 ' A' ' 48' ' ' ILE . 5.2 m -127.96 155.32 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.555 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -101.21 105.21 16.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.475 HG13 HG23 ' A' ' 58' ' ' VAL . 33.3 m -123.1 166.69 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.11 102.35 0.41 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.46 -36.11 2.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.98 -145.49 9.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.555 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 38.9 m95 -129.31 135.6 48.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -128.13 178.15 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 69' ' ' GLY . 53.2 p -83.7 119.48 24.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.18 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -39.14 -52.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.95 67.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -73.05 -35.99 57.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.519 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.7 t80 -74.77 -26.46 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.921 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.7 tp -84.28 -43.13 15.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.763 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -66.25 -41.02 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.499 ' N ' HD12 ' A' ' 72' ' ' LEU . 10.2 ptpt -62.75 -33.36 74.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 10.9 m80 -81.85 -47.61 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 2.2 t0 -77.57 127.54 82.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.719 . . . . 0.0 110.842 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -54.65 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.437 ' O ' HD12 ' A' ' 80' ' ' LEU . 3.2 p -52.5 -35.83 53.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 18' ' ' SER . 64.0 mtt-85 -62.95 -48.55 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.4 mtp -41.25 -28.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 77' ' ' CYS . 29.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 14' ' ' VAL . 19.7 tp -53.89 -52.14 61.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.88 -48.92 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.26 -43.8 98.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.02 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.558 HG13 ' CE2' ' A' ' 67' ' ' PHE . 87.6 t -58.86 -43.22 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -64.18 -45.86 86.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -65.4 -58.25 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mt -48.74 -50.5 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.6 p -57.85 -32.39 67.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -104.99 28.39 7.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 31.4 t0 -173.78 105.06 0.3 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.567 0.699 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.8 Cg_endo -69.75 146.08 81.16 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.377 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 131.66 21.76 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 39.7 t -56.41 107.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -64.62 -42.68 95.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.0 m -39.67 152.61 0.2 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 2.65 3.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.1 m -143.96 108.26 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -65.41 160.09 22.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -72.32 172.36 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.49 113.67 25.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.9 t -138.21 105.72 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -124.93 137.32 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 5.1 tmm_? -85.17 122.61 29.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 45' ' ' ILE . 14.3 mt -108.34 -50.7 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -142.34 176.62 8.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -40.53 -57.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 48' ' ' ILE . . . -117.58 41.23 2.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.485 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 18.5 ttp180 -138.78 128.46 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.332 . . . . 0.0 110.896 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 24.9 m-85 -146.74 160.3 42.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' NH1' ' HA ' ' A' ' 43' ' ' GLU . 11.9 ttm-85 -92.99 111.76 23.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.0 t -115.01 114.12 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 51.74 52.0 36.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HA ' ' NH1' ' A' ' 40' ' ' ARG . 4.6 tt0 59.23 39.6 22.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.959 0.409 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -142.79 153.5 43.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.417 HD12 ' CD1' ' A' ' 34' ' ' LEU . 50.4 mm -105.67 107.65 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.4 mt -116.91 159.7 22.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -104.61 99.77 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.698 HG12 HG12 ' A' ' 58' ' ' VAL . 41.4 mt -93.19 135.23 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.55 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 35.1 ptt180 -131.21 165.55 23.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.7 ttt -122.66 114.35 20.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.07 105.28 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 56.56 32.89 21.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.7 m120 48.93 37.84 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -130.1 -37.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -118.79 148.07 43.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 67' ' ' PHE . 95.2 t -112.96 113.55 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.3 mmm -124.41 165.7 17.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.698 HG12 HG12 ' A' ' 48' ' ' ILE . 3.8 m -130.19 164.63 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.57 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 12.4 tpt180 -104.69 108.04 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.493 HG21 ' OE1' ' A' ' 65' ' ' GLU . 35.9 m -111.87 39.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 46.06 89.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.0 -44.24 1.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.78 172.38 37.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 85.8 m95 -110.08 130.8 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.493 ' OE1' HG21 ' A' ' 60' ' ' VAL . 4.6 pt-20 -124.07 167.94 13.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 69.7 p -75.04 117.17 16.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.558 ' CE2' HG13 ' A' ' 14' ' ' VAL . 30.2 t80 -35.84 -54.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.35 -39.07 63.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.591 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -61.7 -45.17 96.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.2 t80 -67.22 -32.96 74.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 tp -69.32 -44.48 71.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.591 HD23 ' HA2' ' A' ' 69' ' ' GLY . 0.4 OUTLIER -60.21 -40.37 89.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.974 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 31.7 mttm -49.0 -53.02 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -77.18 -48.23 18.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 10.3 t0 -66.25 116.42 33.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.561 0.696 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.09 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.354 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.6 p -54.82 -27.0 38.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 75.8 mtt-85 -75.52 -41.42 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.9 mmt -42.35 -38.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 79' ' ' MET . 76.3 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.431 ' O ' HD13 ' A' ' 9' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 14' ' ' VAL . 19.5 tp -36.05 -57.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -41.18 -54.65 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.532 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 6.2 t70 -48.95 -53.17 20.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.48 ' HA ' ' CD ' ' A' ' 16' ' ' ARG . . . -62.62 -24.63 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.07 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 10' ' ' LEU . 83.7 t -79.98 -34.03 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -79.52 -44.34 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 50.1 ptt85 -51.85 -51.11 58.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.52 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 66.7 mt -56.73 -46.97 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 p -62.89 -22.22 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -111.27 25.16 12.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.9 t0 -174.57 105.0 0.27 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.2 Cg_endo -69.75 144.45 76.64 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.297 0.07 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 131.05 20.43 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.393 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.5 t -58.32 120.98 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 25' ' ' CYS . 61.0 mmtt -73.72 -48.61 30.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.6 m -35.93 151.32 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 110.947 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.56 3.45 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.8 m -137.62 109.11 6.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -62.64 168.81 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -79.9 170.9 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.2 t -90.82 107.79 19.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.9 t -138.68 105.69 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -136.44 123.35 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 -73.68 132.29 42.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 45' ' ' ILE . 6.4 mt -110.56 -44.94 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.0 m -159.88 -175.44 5.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.69 106.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.74 30.63 31.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.54 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 17.9 ttm180 -145.6 127.59 15.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 43.3 m-85 -146.66 149.31 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -82.98 114.94 21.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' LYS . 90.7 t -116.81 127.26 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 38.67 51.02 2.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 60.67 38.62 18.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.394 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.7 mttm -141.23 154.59 45.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.442 HD12 ' CD1' ' A' ' 34' ' ' LEU . 46.4 mm -105.23 100.88 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.9 mt -114.36 154.55 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -102.29 99.63 9.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.739 HG12 HG12 ' A' ' 58' ' ' VAL . 44.0 mt -92.61 121.09 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.581 ' NH1' HD23 ' A' ' 51' ' ' LEU . 3.5 ttp85 -121.32 157.51 30.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.504 ' N ' ' HG3' ' A' ' 49' ' ' ARG . 6.0 ttt -107.74 135.43 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.581 HD23 ' NH1' ' A' ' 49' ' ' ARG . 14.4 mt -91.84 102.98 15.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 57.44 36.62 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 23.5 t30 46.34 40.31 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -134.09 -34.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.498 ' HB2' HD12 ' A' ' 51' ' ' LEU . 20.2 m-70 -123.48 149.67 44.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.5 t -118.18 103.6 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.4 mmm -113.84 165.06 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.739 HG12 HG12 ' A' ' 48' ' ' ILE . 3.0 m -121.7 143.06 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 2.1 tmt_? -94.05 115.51 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 63' ' ' GLY . 5.1 m -116.12 21.68 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.47 ' HA2' ' CZ ' ' A' ' 59' ' ' ARG . . . 94.99 85.31 1.67 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.54 -36.87 2.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.448 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -104.61 144.85 15.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 44.5 m95 -126.94 136.61 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.736 0.303 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -131.81 170.34 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' GLY . 61.8 p -76.68 119.17 20.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.142 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -41.38 -51.48 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.26 -32.57 64.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -71.43 -48.12 31.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.53 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 5.4 t80 -63.11 -24.17 67.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 tp -84.89 -50.65 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.662 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -57.13 -33.21 67.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -68.92 -39.43 79.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.487 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 13.5 m80 -75.04 -48.14 25.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -79.99 129.16 71.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.565 0.697 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -55.9 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 p -51.95 -28.03 15.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.5 mtt-85 -71.82 -38.02 70.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 36.4 mtp -44.7 -38.28 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.7 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 9' ' ' LEU . 3.7 mm? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.729 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.6 tp -57.23 -56.45 21.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.85 -50.18 27.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.89 -43.97 94.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.467 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . . . -67.03 -23.8 65.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 10' ' ' LEU . 99.2 t -83.15 -39.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -72.86 -35.73 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 9.7 ptp180 -60.99 -46.38 90.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.589 HG21 ' HB2' ' A' ' 68' ' ' ALA . 73.7 mt -62.52 -42.7 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 p -70.54 -15.16 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -115.82 24.22 11.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 3.0 m-20 -174.15 105.03 0.28 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.588 0.709 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.7 Cg_endo -69.75 145.98 80.89 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.326 0.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 127.0 13.97 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.0 t -52.53 121.37 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' CYS . 41.6 mttt -80.78 -42.62 21.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.3 m -38.1 153.53 0.14 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.98 2.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 2.28 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.2 m -140.1 117.64 11.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 141.34 51.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -53.31 165.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.4 t -92.17 108.46 19.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 82.5 t -136.4 105.92 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -126.82 132.62 50.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.579 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -83.4 122.03 27.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 45' ' ' ILE . 22.0 mt -107.52 -45.91 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -144.18 174.48 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.433 ' O ' HD23 ' A' ' 10' ' ' LEU . 10.5 mm100 -44.87 -48.3 11.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.59 40.01 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.534 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 41.5 ttp180 -141.08 136.1 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 55.9 m-85 -154.65 152.17 29.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 34.5 ttm180 -84.51 127.59 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.85 119.5 45.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.84 51.97 17.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 59.16 40.24 21.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -144.16 155.69 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 34' ' ' LEU . 39.3 mm -107.4 99.55 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.4 mt -110.1 147.22 34.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -94.66 103.47 15.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.778 HG12 HG12 ' A' ' 58' ' ' VAL . 70.1 mt -96.5 134.52 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -129.15 167.33 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.4 ttt -124.59 121.72 35.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 5.5 mp -79.01 103.59 9.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 55.27 33.14 20.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 51.06 38.85 21.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -127.38 -36.76 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -123.26 150.41 43.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.42 102.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.473 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 6.4 mtp -111.66 165.69 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.778 HG12 HG12 ' A' ' 48' ' ' ILE . 4.8 m -127.73 163.01 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.554 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -107.72 105.16 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 61' ' ' GLY . 31.2 m -129.69 139.25 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -36.16 105.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.8 -42.42 1.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 172.31 -149.99 12.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.554 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 49.8 m95 -126.8 131.31 51.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.749 0.309 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -124.57 175.49 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' GLY . 72.8 p -79.4 114.23 18.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 14' ' ' VAL . 29.0 t80 -35.45 -56.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.589 ' HB2' HG21 ' A' ' 17' ' ' ILE . . . -52.81 -39.32 62.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.74 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -64.35 -41.29 98.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.6 t80 -68.88 -33.62 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.2 tp -72.04 -46.89 55.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.74 HD23 ' HA2' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -56.07 -40.27 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.42 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 36.8 mtpt -62.22 -63.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -53.63 -43.76 69.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.425 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 3.2 t0 -77.69 124.55 86.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.411 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 53.7 Cg_endo -69.72 -55.3 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.25 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.0 p -51.87 -36.48 48.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.425 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 64.8 mtt-85 -65.88 -41.73 91.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 80' ' ' LEU . 4.3 ttt -48.35 -43.07 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 79' ' ' MET . 46.1 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.463 HD13 ' HG2' ' A' ' 50' ' ' MET . 64.7 tp -44.74 -57.64 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.23 -52.08 62.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -50.02 -47.4 53.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.42 -62.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 10' ' ' LEU . 67.4 t -44.76 -45.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -64.14 -35.34 80.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -74.83 -61.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.412 HG21 ' HB2' ' A' ' 68' ' ' ALA . 79.0 mt -47.42 -38.5 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.417 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 54.5 p -71.87 -31.87 66.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -104.7 32.17 4.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 9.2 t0 -174.77 105.16 0.27 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.552 0.691 . . . . 0.0 110.832 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.7 Cg_endo -69.7 145.26 78.8 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.331 -0.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.21 22.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.619 2.213 . . . . 0.0 112.375 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.466 ' HB3' ' CD ' ' A' ' 28' ' ' LYS . 23.3 t -55.26 121.06 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' CYS . 45.1 mmtm -73.28 -46.23 51.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.7 m -36.58 152.16 0.1 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.665 0.745 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 1.82 4.08 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 m -134.93 89.6 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' CD ' ' HB3' ' A' ' 23' ' ' CYS . 20.1 tptp -50.5 139.26 16.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.63 158.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -92.12 107.44 19.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.7 t -133.17 107.05 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 4.9 tp10 -126.01 150.89 47.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 5.4 tmm_? -95.46 124.08 39.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.5 ' CD1' HD12 ' A' ' 45' ' ' ILE . 15.2 mt -108.58 -50.27 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' GLY . 2.0 m -147.36 172.34 14.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.418 ' H ' ' CD ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -58.99 78.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' SER . . . 125.64 -28.73 4.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -86.82 130.53 34.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.466 ' HB2' HD12 ' A' ' 48' ' ' ILE . 80.8 m-85 -146.02 145.11 30.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -81.67 120.53 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.7 t -125.0 108.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.1 48.87 70.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 60.79 36.28 19.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -143.43 136.67 27.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' A' ' 34' ' ' LEU . 45.6 mm -89.21 111.77 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.9 mt -122.59 136.83 54.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -82.17 104.59 12.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.472 HG12 HG12 ' A' ' 58' ' ' VAL . 97.0 mt -92.92 121.27 43.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.581 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 13.2 ptm180 -120.26 167.93 11.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.463 ' HG2' HD13 ' A' ' 10' ' ' LEU . 1.6 mmt -116.91 143.9 45.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 51' ' ' LEU . 15.2 mt -102.26 95.0 6.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.1 m170 61.19 25.48 15.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 24.6 t30 59.4 35.47 23.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.6 tttt -127.69 -40.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -122.09 149.08 44.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -108.6 108.62 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 mtt -107.83 165.78 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.547 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 3.6 m -134.5 166.55 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.515 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 9.4 tpt180 -106.42 117.73 34.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.464 HG21 ' OE2' ' A' ' 65' ' ' GLU . 31.3 m -146.29 142.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.29 95.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.452 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 60' ' ' VAL . . . 145.07 -36.39 1.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.445 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.53 -133.13 3.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.581 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 76.4 m95 -134.33 127.8 32.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.721 0.296 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.464 ' OE2' HG21 ' A' ' 60' ' ' VAL . 10.6 pt-20 -124.07 170.29 10.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 69' ' ' GLY . 49.7 p -74.48 115.59 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' THR . 26.9 t80 -35.17 -63.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 17' ' ' ILE . . . -47.59 -36.16 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -68.14 -40.6 88.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.7 t80 -70.41 -35.85 73.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 0.0 110.934 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.49 -51.8 57.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.66 -34.64 67.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -59.35 -61.05 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -64.62 -49.38 71.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.41 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 9.5 t0 -63.16 117.01 29.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.461 ' O ' HD12 ' A' ' 80' ' ' LEU . 15.4 p -54.42 -31.03 54.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 18' ' ' SER . 93.0 mtt-85 -71.23 -46.15 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.44 ' HE3' ' HA ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -40.49 -27.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 77' ' ' CYS . 37.9 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 53' ' ' ASN . 6.4 tp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.87 -62.22 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -42.06 -48.49 4.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.11 -43.08 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.94 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.457 HG13 ' CE2' ' A' ' 67' ' ' PHE . 88.2 t -41.81 -51.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -47.24 80.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 mtp85 -53.72 -46.77 70.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.9 mt -70.17 -46.48 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p -60.68 -25.58 66.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' O ' ' CA ' ' A' ' 22' ' ' PRO . 11.9 mm-40 -100.52 -21.35 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -134.56 114.46 12.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.562 0.696 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 140.45 60.53 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.382 0.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.406 ' CA ' ' O ' ' A' ' 19' ' ' GLU . 53.6 Cg_endo -69.79 130.75 19.85 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.1 t -54.42 120.39 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' CYS . 32.6 mmtp -67.39 -48.49 67.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LYS . 15.2 m -34.94 152.27 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.85 3.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.7 m -137.41 108.98 6.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.44 139.94 58.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CD2' HD11 ' A' ' 71' ' ' LEU . 3.8 t80 -49.62 173.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -97.75 109.49 22.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -138.94 107.14 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -131.42 128.85 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -74.63 128.48 35.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 mt -115.2 -45.43 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 t -154.27 170.75 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -58.43 94.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' ILE . . . 110.94 -28.11 10.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.53 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.457 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 15.5 ttp180 -90.16 137.49 32.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 61.1 m-85 -151.7 142.64 23.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -81.13 99.18 8.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.536 ' HB ' HD12 ' A' ' 46' ' ' LEU . 44.2 t -110.98 133.84 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' LYS . . . 39.95 70.49 0.35 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' GLY . 16.1 pt-20 37.55 28.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.923 0.392 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLY . 39.4 mttp -133.97 154.58 51.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.0 mm -105.77 105.27 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.536 HD12 ' HB ' ' A' ' 41' ' ' VAL . 6.1 mt -118.01 151.09 38.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -99.64 99.89 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.738 HG12 HG12 ' A' ' 58' ' ' VAL . 51.4 mt -83.15 133.23 29.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -126.01 169.05 13.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.0 ttt -127.72 120.24 27.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.461 HD12 ' HB2' ' A' ' 55' ' ' HIS . 21.2 mt -86.54 111.04 20.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 18.8 m-70 49.71 35.71 9.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 1.1 p-10 47.23 34.88 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -128.05 -34.41 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB2' HD12 ' A' ' 51' ' ' LEU . 20.2 m-70 -122.27 147.11 46.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.92 102.83 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.6 mmm -108.03 165.69 11.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.738 HG12 HG12 ' A' ' 48' ' ' ILE . 13.6 m -127.33 152.8 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.54 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 7.4 tpp180 -82.12 116.05 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.522 HG23 HG23 ' A' ' 58' ' ' VAL . 72.0 t -138.92 114.44 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 41.4 -119.76 1.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.432 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.82 42.15 2.0 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -175.52 133.98 2.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.54 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 40.6 m95 -94.16 133.91 37.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.724 0.297 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -118.47 167.57 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' GLY . 67.4 p -75.3 121.06 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.457 ' CE2' HG13 ' A' ' 14' ' ' VAL . 17.6 t80 -35.19 -67.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.43 -32.72 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -71.85 -36.44 61.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.3 t80 -75.82 -35.23 60.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 29' ' ' PHE . 11.6 tp -69.82 -41.91 74.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -63.89 -35.61 81.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -54.26 -53.69 50.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -76.18 -43.02 44.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.23 117.52 53.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.7 p -54.37 -29.2 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -78.02 -42.74 31.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.56 -47.61 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' H ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.752 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.617 HD11 HG22 ' A' ' 48' ' ' ILE . 5.9 tp -82.61 -36.2 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.6 -27.2 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.7 -52.9 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -62.52 -49.12 76.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.072 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 10' ' ' LEU . 92.1 t -58.42 -47.32 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -60.36 -44.76 95.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -66.31 -60.63 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.3 mt -49.43 -50.23 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.5 p -56.11 -36.12 67.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -105.77 31.46 5.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 10.7 t70 -174.52 105.03 0.27 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.76 145.7 80.14 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.324 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 132.05 22.43 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.1 t -54.23 114.04 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.6 mttt -71.45 -46.94 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' LYS . 4.4 m -36.75 154.82 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.8 2.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.8 t -131.79 141.7 49.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.18 143.84 26.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -65.59 162.43 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.27 106.86 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.8 t -139.25 107.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 6.6 tp10 -130.82 152.26 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 18.3 ttt85 -92.42 130.69 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' CD1' HD12 ' A' ' 45' ' ' ILE . 8.6 mt -115.14 -46.75 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.6 m -145.72 177.7 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -38.99 -58.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.5 43.31 1.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.516 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 12.1 ttm180 -136.91 136.83 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.894 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 39.0 m-85 -150.54 151.77 33.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -89.11 102.11 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.7 t -110.27 130.6 63.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' GLU . . . 40.41 71.42 0.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.504 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLY . 1.6 tm-20 36.56 37.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.958 0.409 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -144.85 150.35 36.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.436 HD12 ' CD1' ' A' ' 34' ' ' LEU . 50.5 mm -101.62 112.11 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 45' ' ' ILE . 24.1 mt -127.6 138.94 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -84.57 106.71 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.617 HG22 HD11 ' A' ' 10' ' ' LEU . 69.2 mt -95.66 120.43 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.439 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 35.2 mmm-85 -118.4 150.69 39.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.421 ' HE3' ' N ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -108.09 116.1 31.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.9 mt -74.61 108.68 7.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 46.89 31.6 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.8 t30 51.98 36.78 19.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 23.1 tttt -128.05 -41.49 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 1.6 m-70 -122.28 126.87 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.554 HG21 ' HB1' ' A' ' 13' ' ' ALA . 42.6 t -94.85 115.4 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.8 mmm -120.89 165.98 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.586 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 11.6 m -125.14 165.92 21.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -103.16 109.53 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 63' ' ' GLY . 26.1 m -119.7 39.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.89 65.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.6 -32.83 2.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.428 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.762 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -89.81 129.22 9.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.586 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 96.0 m95 -105.64 117.53 34.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.709 0.29 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -115.5 169.63 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -74.27 119.58 18.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -45.25 -49.28 12.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.79 -28.1 54.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.15 -47.62 17.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 2.6 t80 -65.9 -26.87 67.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.98 0.419 . . . . 0.0 110.969 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.0 tp -82.03 -38.37 25.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -71.5 -42.5 67.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.578 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.7 ptpt -54.61 -36.73 64.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 17.1 m80 -87.89 -50.64 6.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' HD2' ' A' ' 76' ' ' PRO . 12.2 t0 -63.18 117.11 30.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.409 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 54.3 Cg_endo -69.7 -34.53 14.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.26 . . . . 0.0 112.385 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.5 p -70.76 -19.78 62.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -87.38 -40.7 14.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mmm -49.71 -21.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -90.69 131.03 36.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 m -97.83 -51.2 4.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.25 68.38 1.02 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 p -136.85 146.26 45.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -55.16 175.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.8 106.83 1.18 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -72.26 139.82 48.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.631 ' H ' HD12 ' A' ' 9' ' ' LEU . 5.8 mp -58.61 -55.82 30.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.0 tp -54.48 -53.92 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -56.37 -43.56 79.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.14 -48.85 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.03 -51.57 60.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 10' ' ' LEU . 59.7 t -53.06 -48.92 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -56.15 -49.52 73.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.19 -63.64 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.7 mt -43.49 -51.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.5 p -57.72 -36.41 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -102.69 31.46 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -172.49 104.99 0.34 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 145.47 79.47 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.332 0.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.48 17.68 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.655 2.236 . . . . 0.0 112.371 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.6 t -51.15 122.94 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' CYS . 44.8 mmtm -72.19 -47.41 50.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' LYS . 7.8 m -36.84 152.64 0.1 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 1.04 4.77 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.8 m -131.96 114.26 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -66.65 141.29 57.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -56.32 160.28 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.9 t -86.95 107.08 18.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.5 t -139.13 106.47 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.425 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 1.2 tm-20 -128.79 140.64 51.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.511 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 27.9 ttp180 -84.41 124.34 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.596 HD11 HD12 ' A' ' 45' ' ' ILE . 16.6 mt -105.61 -49.37 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 38' ' ' ARG . 1.6 t -165.47 153.52 11.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' SER . 17.3 mm-40 -34.72 109.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.86 26.53 49.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 15.8 ttt85 -144.77 124.36 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.352 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.511 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 48.3 m-85 -146.02 144.12 29.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -82.95 96.86 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.42 112.98 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.72 -107.95 1.99 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -124.25 25.8 7.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -143.77 158.44 43.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.596 HD12 HD11 ' A' ' 34' ' ' LEU . 47.2 mm -107.43 117.63 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.441 HD11 ' CZ ' ' A' ' 70' ' ' TYR . 38.0 mt -121.08 164.53 16.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.418 ' CZ ' ' NH1' ' A' ' 38' ' ' ARG . 83.6 m-85 -107.42 99.73 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.489 HG12 HG12 ' A' ' 58' ' ' VAL . 62.1 mt -83.66 120.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -114.33 167.7 10.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.8 ttt -128.85 120.24 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.468 HD12 ' HB2' ' A' ' 55' ' ' HIS . 14.8 mt -83.9 113.11 20.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 50.51 36.89 14.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 44.46 34.88 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -130.12 -35.71 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.468 ' HB2' HD12 ' A' ' 51' ' ' LEU . 4.6 m80 -117.18 140.54 49.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.415 HG12 ' HB2' ' A' ' 67' ' ' PHE . 41.3 t -111.71 112.77 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.1 mmm -120.89 165.6 14.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.531 ' C ' ' CE3' ' A' ' 64' ' ' TRP . 3.4 m -127.22 156.78 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.588 ' HG2' ' CZ2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -93.42 112.36 24.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.861 HG22 ' O ' ' A' ' 63' ' ' GLY . 15.6 m -109.65 -176.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -89.6 51.79 3.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.4 36.69 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.861 ' O ' HG22 ' A' ' 60' ' ' VAL . . . 129.06 -162.83 22.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.588 ' CZ2' ' HG2' ' A' ' 59' ' ' ARG . 34.0 m95 -135.39 140.72 45.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.729 0.299 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -126.65 176.39 7.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 69' ' ' GLY . 65.8 p -79.11 121.71 25.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.132 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.451 ' CE2' HG13 ' A' ' 14' ' ' VAL . 31.4 t80 -41.52 -53.39 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.97 -29.35 65.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.712 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -78.44 -38.12 25.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.46 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.4 t80 -68.32 -32.57 72.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 0.0 110.939 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.9 tp -71.44 -49.7 38.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.712 HD23 ' HA2' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -53.67 -37.2 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.411 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 21.6 mtmt -53.6 -57.53 10.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -70.69 -55.28 9.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.36 116.18 13.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -46.73 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.8 p -57.73 -23.16 50.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -83.06 -42.86 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.05 -30.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp -47.1 -57.76 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -50.95 150.48 2.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.9 mm -53.74 108.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.8 m -134.25 159.66 40.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.0 mtp85 -147.79 106.16 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.4 m -142.23 167.25 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -106.62 -60.73 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.32 -143.38 9.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -139.52 117.96 12.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.851 0.357 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.5 m -104.34 99.98 9.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.0 t -152.31 141.17 14.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 118.29 5.6 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.242 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 t -38.38 152.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.67 99.75 1.04 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.89 4.1 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 94.3 p -134.46 157.74 45.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.3 p -149.5 149.11 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.476 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -107.52 136.01 48.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 m -147.74 172.95 13.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.9 136.11 4.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -99.12 42.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.84 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 m -58.63 119.94 8.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.54 -35.75 25.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 72.73 44.6 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.5 mt -85.9 -38.14 18.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.655 HD13 ' HB2' ' A' ' 50' ' ' MET . 15.0 tp -64.22 -49.79 70.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.54 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -46.61 -55.18 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.54 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 12.4 t0 -58.78 -44.8 90.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.4 -46.44 83.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.98 -44.0 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -59.97 -47.28 86.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -61.58 -64.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.1 mt -44.86 -49.66 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.409 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 61.0 p -59.15 -34.21 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -103.85 31.96 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 21.1 t0 -174.55 105.11 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.78 144.17 75.95 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.327 0.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.65 14.92 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 16.7 t -53.56 127.7 26.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -78.63 -40.96 32.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -44.55 152.63 0.51 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -1.35 8.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.8 m -134.9 95.87 3.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -54.27 165.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -71.57 168.12 18.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 t -100.56 110.89 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.9 t -136.92 109.78 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.59 143.88 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.554 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -91.15 119.4 31.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.494 HD11 HD12 ' A' ' 45' ' ' ILE . 44.2 mt -104.44 -50.46 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -143.48 171.94 13.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -38.91 -50.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.14 40.34 2.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 26.7 ttt180 -139.68 133.29 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.72 ' HB2' HD12 ' A' ' 48' ' ' ILE . 61.8 m-85 -150.24 159.09 44.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 ttm-85 -95.5 96.34 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -92.67 110.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.73 -110.74 3.61 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -123.94 26.25 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -144.76 155.71 43.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.494 HD12 HD11 ' A' ' 34' ' ' LEU . 27.6 mm -101.51 120.41 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 mt -125.51 155.77 40.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -93.84 100.3 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.755 HG12 HG12 ' A' ' 58' ' ' VAL . 48.4 mt -93.11 117.5 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.558 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 10.7 ptm180 -113.82 169.73 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.655 ' HB2' HD13 ' A' ' 10' ' ' LEU . 8.3 ttt -126.91 117.51 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mt -74.07 103.81 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 56.56 34.32 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 48.92 39.69 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -131.45 -37.9 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -119.84 136.69 54.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.412 HG12 ' HB2' ' A' ' 67' ' ' PHE . 95.3 t -104.55 103.21 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.2 mmm -110.83 165.96 11.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.755 HG12 HG12 ' A' ' 48' ' ' ILE . 14.5 m -126.53 165.51 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -100.5 111.86 24.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.47 ' O ' ' C ' ' A' ' 61' ' ' GLY . 34.4 m -142.38 123.86 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . 32.98 80.94 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . 33.66 46.9 0.43 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.65 157.03 27.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.558 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 98.8 m95 -123.36 122.8 39.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -123.54 170.42 10.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 69' ' ' GLY . 70.4 p -75.33 113.84 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' THR . 33.1 t80 -36.23 -48.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.6 78.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -57.81 -44.66 94.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.4 t80 -67.53 -37.8 83.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.958 0.409 . . . . 0.0 110.935 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 tp -64.14 -53.99 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.758 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -52.74 -39.64 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.411 ' N ' HD12 ' A' ' 72' ' ' LEU . 48.5 mttt -60.39 -63.54 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -55.35 -44.85 76.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.419 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.0 t0 -74.15 118.89 73.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.657 ' O ' HD12 ' A' ' 80' ' ' LEU . 13.8 p -54.51 -38.64 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.419 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 92.0 mtt-85 -60.85 -48.23 82.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.2 mtp -39.74 -36.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 77' ' ' CYS . 18.7 mt -39.55 -45.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -56.35 175.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.86 124.25 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.1 p -149.27 149.18 30.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.61 166.23 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 85' ' ' VAL . 9.6 p -79.7 126.15 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -78.87 -59.72 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.22 -160.29 30.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.83 169.74 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.7 t -164.79 163.66 21.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.2 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.5 t -77.06 137.34 65.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 157.64 59.63 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.6 m -146.39 -176.94 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.59 79.22 0.35 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 177.51 5.47 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.372 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.2 t -62.83 154.73 29.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.7 t -113.86 -61.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.491 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 1' ' ' GLY . 34.2 m 37.76 41.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -102.57 130.45 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.2 45.38 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 p -131.13 40.83 3.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -105.49 83.39 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.45 87.03 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -161.91 145.33 12.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mp -81.5 -35.71 30.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' ' 14' ' ' VAL . 5.6 tp -56.97 -58.9 6.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 0.8 OUTLIER -49.11 -40.2 31.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.831 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -67.82 -41.68 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.37 -27.8 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 10' ' ' LEU . 93.3 t -76.18 -30.36 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -81.72 -40.72 22.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.527 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.3 OUTLIER -63.08 -51.91 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.527 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 92.0 mt -58.06 -37.46 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.429 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 73.9 p -76.13 -21.73 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.43 26.19 10.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 5.7 t0 -173.06 105.0 0.32 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.78 145.77 80.39 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.324 0.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.26 15.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -48.75 103.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -62.7 -37.67 87.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 m -47.69 153.01 1.14 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 3.67 2.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.378 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.6 m -129.82 90.81 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HE3' ' N ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -56.12 113.58 1.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.515 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 2.4 t80 -35.52 153.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.6 t -87.67 108.36 19.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -138.11 105.91 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -134.92 142.77 46.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.557 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 35.7 ttp180 -90.39 128.79 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' A' ' 45' ' ' ILE . 27.9 mt -103.58 -46.93 4.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.06 168.12 28.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -55.12 91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.44 34.88 3.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.525 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.463 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 16.3 ttp180 -159.28 127.23 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 15.4 m-85 -144.03 150.66 38.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -87.11 112.67 22.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.1 t -116.1 105.35 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.05 56.84 22.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 56.82 38.97 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -143.38 152.28 41.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.438 HD12 ' CD1' ' A' ' 34' ' ' LEU . 49.8 mm -107.24 104.78 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.7 mt -113.7 150.4 33.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -99.17 102.23 13.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.791 HG12 HG12 ' A' ' 58' ' ' VAL . 62.1 mt -93.24 124.0 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -111.9 172.61 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.522 ' HB2' HD13 ' A' ' 10' ' ' LEU . 2.8 ttt -129.71 109.12 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.3 mt -70.92 115.21 9.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 47.96 30.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 53.17 35.37 19.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -128.09 -42.23 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -114.39 145.69 41.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.18 106.64 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.8 mmm -112.37 165.92 11.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.791 HG12 HG12 ' A' ' 48' ' ' ILE . 3.2 m -126.35 160.59 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.58 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 11.8 tpt180 -99.53 110.29 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 60' ' ' VAL . 15.4 m -122.68 81.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.58 -94.52 0.75 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.556 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -129.05 45.05 1.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.2 154.24 24.01 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.462 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 90.5 m95 -117.34 128.04 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -125.29 170.49 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.9 p -74.89 117.12 16.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -38.86 -60.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.86 -53.77 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.98 -49.94 28.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.2 t80 -59.47 -23.89 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.925 0.393 . . . . 0.0 110.921 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.05 -33.58 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.563 HD22 ' HB3' ' A' ' 78' ' ' ARG . 3.8 mt -71.5 -51.96 20.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.402 ' CD ' ' HA ' ' A' ' 70' ' ' TYR . 15.9 ptmt -47.5 -42.67 23.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -82.99 -50.21 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.427 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.8 t0 -76.15 119.27 76.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.722 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -51.03 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.426 ' HA ' HD12 ' A' ' 80' ' ' LEU . 11.3 p -55.72 -20.57 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.563 ' HB3' HD22 ' A' ' 72' ' ' LEU . 55.3 mtt-85 -84.3 -49.8 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 81' ' ' GLN . 2.2 mmt -54.35 -32.41 56.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 77' ' ' CYS . 19.3 mt -41.7 -24.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 79' ' ' MET . 7.1 pt20 -84.51 30.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 80.3 mt -150.34 138.01 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.2 t -95.41 63.62 2.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -142.72 174.58 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.2 m -137.32 147.32 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -43.35 -61.76 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.4 120.12 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? 65.61 38.0 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 t -93.34 135.71 34.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.7 p -65.75 135.46 95.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 120.81 7.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.3 p -165.49 144.14 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -139.09 73.35 0.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.43 3.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.262 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.4 t -133.56 133.73 42.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.2 t -85.22 41.75 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.81 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.496 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -67.56 -54.65 18.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -51.41 160.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.805 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.94 -171.21 37.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.441 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -83.15 42.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t 40.65 42.29 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.88 127.78 0.92 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -118.5 84.94 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.52 -48.16 61.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 36' ' ' GLN . 26.5 tp -42.17 -59.22 1.85 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -49.99 -56.3 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -40.76 -44.57 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.82 -60.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.554 HG13 ' CE2' ' A' ' 67' ' ' PHE . 58.5 t -46.78 -26.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.19 -42.33 19.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.535 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 3.4 ptm180 -67.89 -50.29 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.535 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 26.0 mt -55.01 -39.4 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.442 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 40.5 p -68.19 -29.37 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -106.59 31.38 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 5.5 t70 -174.95 104.98 0.26 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.9 Cg_endo -69.76 144.81 77.68 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.341 0.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.72 18.09 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.281 . . . . 0.0 112.291 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 t -56.0 115.13 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.7 mmtp -67.89 -47.61 68.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.4 m -37.8 152.66 0.14 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.33 3.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.8 m -141.45 111.29 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -71.06 154.57 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -60.63 162.23 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -86.39 107.21 17.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -133.83 114.73 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -131.65 143.47 50.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 40.0 ttp180 -77.93 109.83 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' HB2' ' C ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -87.75 -47.59 8.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -167.32 178.59 5.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.456 ' O ' HD23 ' A' ' 10' ' ' LEU . 15.6 pt20 -39.69 -45.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.97 36.86 2.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.599 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 5.9 ttp180 -137.63 145.05 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 38' ' ' ARG . 88.6 m-85 -161.67 133.72 5.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -79.07 118.55 21.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.9 t -125.63 121.88 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.08 46.09 42.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 63.24 38.11 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -141.66 152.15 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mm -107.95 99.93 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.5 mt -112.89 148.62 34.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -96.14 101.51 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.775 HG12 HG12 ' A' ' 58' ' ' VAL . 65.2 mt -84.45 122.54 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.4 mtp-105 -119.12 151.61 37.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.0 ttt -116.27 121.6 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 mt -84.67 109.48 18.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.432 ' C ' ' CG ' ' A' ' 53' ' ' ASN . 39.9 m-70 53.08 35.56 19.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' CG ' ' C ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER 46.88 30.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -120.46 -33.96 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -120.28 149.73 41.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.1 t -121.45 96.84 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.468 ' SD ' HG22 ' A' ' 66' ' ' THR . 14.5 mmm -105.94 164.74 11.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.775 HG12 HG12 ' A' ' 48' ' ' ILE . 16.1 m -128.16 154.25 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.56 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 6.9 tmm_? -87.11 100.56 12.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.767 HG23 HG23 ' A' ' 58' ' ' VAL . 98.5 t -118.15 118.55 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -30.95 108.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.12 -22.29 8.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.517 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 168.36 -150.61 16.54 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 52.1 m95 -137.54 128.81 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.296 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.72 173.19 6.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.468 HG22 ' SD ' ' A' ' 57' ' ' MET . 69.8 p -80.63 119.6 23.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE2' HG13 ' A' ' 14' ' ' VAL . 28.5 t80 -40.86 -50.95 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.88 -32.0 69.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -76.23 -35.97 41.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.4 t80 -71.71 -33.18 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.942 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.0 tp -71.09 -53.7 13.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.754 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.69 -35.76 68.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -54.72 -50.78 67.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -76.94 -48.23 18.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.429 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.4 t0 -65.67 118.17 48.68 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.39 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.378 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.415 ' O ' HD12 ' A' ' 80' ' ' LEU . 12.6 p -55.03 -35.15 64.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 18' ' ' SER . 68.9 mtt-85 -63.31 -46.41 86.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 80' ' ' LEU . 9.6 mmt -40.86 -36.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 79' ' ' MET . 15.3 mt -36.87 -47.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.466 HE21 HD22 ' A' ' 72' ' ' LEU . 12.7 pt20 -55.2 139.27 42.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 82' ' ' ILE . 5.2 mp -95.87 95.67 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.9 p -171.93 128.44 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 54.79 41.94 31.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.4 m -121.64 38.96 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -116.51 118.12 31.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.431 ' O ' HG23 ' A' ' 89' ' ' THR . . . -142.55 151.11 22.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 104.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 87' ' ' GLY . 40.9 p -126.44 90.54 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.416 ' HA ' ' HD2' ' A' ' 91' ' ' PRO . 14.4 t -126.6 96.83 34.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.635 0.731 . . . . 0.0 110.826 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 90' ' ' SER . 53.1 Cg_endo -69.8 130.68 19.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.6 t -69.21 147.34 51.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.36 157.04 8.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.522 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 169.65 18.39 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m 56.24 42.03 28.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.2 t -116.05 166.82 11.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.493 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -127.58 -49.28 1.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m 58.43 42.04 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.63 56.83 4.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -152.09 135.36 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -59.13 138.52 57.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.76 -61.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -88.67 140.66 29.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.0 mt -95.91 -52.81 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' A' ' 50' ' ' MET . 53.8 tp -45.69 -56.51 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -52.32 -53.47 43.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -46.37 -43.04 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.5 -66.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.614 HG13 ' CE2' ' A' ' 67' ' ' PHE . 94.4 t -41.23 -51.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -59.27 -47.49 85.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 -60.73 -35.12 75.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.0 mt -70.47 -48.78 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.3 p -60.43 -35.5 75.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -88.58 -24.8 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 1.2 m-20 -135.98 114.34 10.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HG2' ' NH1' ' A' ' 78' ' ' ARG . 54.2 Cg_endo -69.79 141.48 66.08 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.342 0.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.18 27.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.12 114.73 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' CYS . 1.7 mptt -69.47 -48.9 59.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 3.9 m -37.84 153.3 0.13 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.875 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 3.29 2.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.3 m -125.41 86.55 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 tppp? -54.94 132.88 47.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.61 144.89 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.97 109.33 20.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.1 t -136.42 105.79 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -135.2 156.24 49.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.578 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 14.6 ttm180 -82.0 134.7 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.488 HD13 HD12 ' A' ' 45' ' ' ILE . 13.2 mt -118.15 -47.0 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -141.44 173.42 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -39.45 -50.73 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.63 39.03 2.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.59 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 22.3 ttp180 -133.87 141.0 47.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 19.9 m-85 -150.94 144.07 24.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.458 HH21 HD11 ' A' ' 45' ' ' ILE . 13.4 ttm180 -79.99 120.66 24.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.3 t -121.51 88.71 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 61.98 78.33 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 16.9 pt-20 43.85 33.26 0.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 110.954 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.42 145.88 37.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.488 HD12 HD13 ' A' ' 34' ' ' LEU . 51.6 mm -110.16 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.7 mt -111.5 158.24 19.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.08 98.07 8.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.584 HD12 ' HB2' ' A' ' 39' ' ' TYR . 66.3 mt -90.26 128.33 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 3.1 mmp_? -119.11 172.84 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.515 ' HB2' HD13 ' A' ' 10' ' ' LEU . 7.7 ttt -134.47 117.91 16.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 mt -84.61 112.83 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 48.04 38.42 9.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 44.1 37.74 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -131.66 -33.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -120.98 142.33 49.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.8 t -116.84 103.08 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mtt -109.27 163.22 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.483 HG12 HG12 ' A' ' 48' ' ' ILE . 2.8 m -129.33 157.99 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.534 ' HD3' ' CE2' ' A' ' 64' ' ' TRP . 10.6 tpt180 -97.94 102.44 14.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 63' ' ' GLY . 15.3 m -87.52 -25.17 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.05 -41.23 1.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' H ' HG23 ' A' ' 60' ' ' VAL . . . -126.6 35.72 2.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.65 ' O ' HG22 ' A' ' 60' ' ' VAL . . . 147.48 145.77 4.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.534 ' CE2' ' HD3' ' A' ' 59' ' ' ARG . 61.1 m95 -92.66 118.69 31.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.727 0.299 . . . . 0.0 110.938 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.633 ' OE2' HG11 ' A' ' 60' ' ' VAL . 10.7 pt-20 -110.42 166.48 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 69' ' ' GLY . 32.2 p -74.57 121.6 21.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.189 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.614 ' CE2' HG13 ' A' ' 14' ' ' VAL . 22.8 t80 -38.64 -54.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.77 -38.28 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -65.44 -45.81 88.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.505 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 1.9 t80 -67.61 -35.88 79.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.898 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.3 tp -72.63 -51.99 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 72' ' ' LEU . 1.2 pp -61.81 -38.72 89.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' N ' HD12 ' A' ' 72' ' ' LEU . 31.9 mttt -53.0 -50.62 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -77.25 -43.03 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -69.9 116.4 43.49 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -43.8 2.52 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.716 2.278 . . . . 0.0 112.369 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.8 p -60.42 -28.4 68.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' NH1' ' HG2' ' A' ' 21' ' ' PRO . 95.1 mtt-85 -75.99 -50.36 15.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 82' ' ' ILE . 1.4 mmm -48.68 -27.4 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.6 mt -38.6 -31.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.43 ' C ' HG13 ' A' ' 82' ' ' ILE . 11.2 pt20 -85.2 30.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 79' ' ' MET . 52.2 mt -146.3 138.39 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.704 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.3 m -64.65 120.36 12.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.818 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 83' ' ' SER . 0.3 OUTLIER -33.31 140.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 83' ' ' SER . 79.3 t -142.78 134.74 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 85' ' ' VAL . 0.9 OUTLIER -36.25 149.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.08 129.63 1.15 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -164.63 152.51 11.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.2 m -159.78 143.96 14.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -118.52 121.64 30.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.707 0.765 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.278 . . . . 0.0 112.357 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -91.3 -60.46 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.13 74.62 0.11 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -176.62 1.54 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.25 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.2 p 41.66 42.35 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -79.45 95.12 5.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.196 -0.78 . . . . 0.0 112.47 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -141.21 169.99 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.905 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -152.54 144.85 23.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.75 41.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -43.3 147.38 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m 54.78 38.19 29.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.22 83.93 1.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.87 97.73 7.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 53' ' ' ASN . 9.3 tp -90.09 -63.27 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.539 HD11 HG22 ' A' ' 48' ' ' ILE . 9.9 tp -55.98 -56.93 14.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -39.28 -58.62 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -42.64 -43.91 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.561 ' HB1' ' CG2' ' A' ' 56' ' ' VAL . . . -67.39 -70.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.61 HG13 ' CE2' ' A' ' 67' ' ' PHE . 63.8 t -41.32 -50.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -58.7 -49.9 75.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -57.55 -39.84 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.3 mt -70.0 -47.4 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.5 p -60.48 -33.99 73.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -90.1 -24.08 21.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -136.63 112.99 9.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.637 0.732 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HG2' ' NH1' ' A' ' 78' ' ' ARG . 54.0 Cg_endo -69.74 142.08 68.55 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.337 -0.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.86 31.66 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.92 115.39 4.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' CYS . 27.2 mmtp -63.99 -49.75 71.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.3 m -37.2 147.6 0.22 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.03 3.04 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.264 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.9 m -131.57 108.12 9.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.04 136.43 56.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -52.33 164.15 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -92.24 110.41 21.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.5 t -138.89 105.8 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -137.2 132.49 33.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -69.97 137.01 51.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.575 HD11 HD12 ' A' ' 45' ' ' ILE . 18.4 mt -113.02 -46.46 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -154.12 177.06 11.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -56.87 98.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.2 34.26 9.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.442 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 40.3 ttp180 -147.06 131.4 17.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 15.2 m-85 -141.74 149.72 40.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -87.31 107.77 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.2 t -101.77 110.22 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.33 -106.56 0.96 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -123.89 29.26 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.841 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -144.86 153.19 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.575 HD12 HD11 ' A' ' 34' ' ' LEU . 46.1 mm -104.43 122.93 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 mt -134.23 158.46 43.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.423 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 72.6 m-85 -101.44 106.79 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.72 HG12 HG12 ' A' ' 58' ' ' VAL . 69.5 mt -95.39 129.53 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.547 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 74.6 mtt-85 -126.47 145.94 50.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.463 ' CE ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -106.43 125.22 50.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.467 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 5.3 mp -89.85 107.09 18.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 49.88 35.23 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.547 ' HB2' HD11 ' A' ' 9' ' ' LEU . 13.3 t-20 46.44 37.6 4.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.457 ' N ' ' HE3' ' A' ' 50' ' ' MET . 40.8 tttp -129.1 -38.28 1.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.404 ' C ' ' HE1' ' A' ' 50' ' ' MET . 0.2 OUTLIER -124.16 122.61 38.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 67' ' ' PHE . 91.6 t -97.87 108.49 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.467 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 5.2 mtp -114.69 166.5 11.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.72 HG12 HG12 ' A' ' 48' ' ' ILE . 6.4 m -132.9 160.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 9.4 tpt180 -95.18 106.26 18.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 60' ' ' VAL . 18.4 m -111.47 78.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.21 -51.05 3.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.95 -33.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.48 -177.84 51.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.581 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 93.9 m95 -136.84 113.45 10.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -112.37 169.86 8.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' GLY . 70.1 p -74.57 118.5 17.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.612 ' HB2' HG12 ' A' ' 56' ' ' VAL . 21.2 t80 -38.06 -53.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.06 -37.37 64.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.601 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -64.62 -41.18 97.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.463 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.4 t80 -71.82 -34.47 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.928 0.394 . . . . 0.0 110.94 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -70.77 -36.25 72.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.67 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -63.34 -43.57 97.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 6.3 mtpm? -47.61 -53.31 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -76.85 -50.45 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.418 ' OD2' ' NE ' ' A' ' 78' ' ' ARG . 9.4 t0 -61.22 116.95 22.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.248 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.7 p -55.77 -27.41 50.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 80' ' ' LEU . 95.4 mtt-85 -80.17 -41.38 25.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 14.8 mtt -39.98 -25.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 78' ' ' ARG . 20.7 mt -81.79 39.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 82' ' ' ILE . 16.2 mt-30 -130.56 -33.85 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 81' ' ' GLN . 70.5 mt -33.8 122.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.8 p -122.45 -43.79 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -78.62 144.2 35.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.5 m -74.06 -33.72 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -45.95 150.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -160.04 -58.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -70.84 114.6 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 60.8 p -107.9 -46.92 3.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.407 ' HA ' ' HD2' ' A' ' 91' ' ' PRO . 57.9 m -127.81 106.18 20.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.714 0.769 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 90' ' ' SER . 53.8 Cg_endo -69.79 -174.7 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.0 p -99.98 176.36 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.07 -106.46 0.29 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 134.45 28.04 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.246 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.1 p -102.37 152.71 20.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.5 p -132.26 117.39 18.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.463 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 40.37 42.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -106.07 42.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.54 -64.76 3.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -85.48 84.11 7.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.89 0.376 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -162.74 112.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.02 67.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -86.67 112.44 21.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.41 -48.4 27.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 50' ' ' MET . 11.6 tp -42.97 -45.13 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -53.18 -55.27 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -46.3 -49.14 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.7 -61.5 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 10' ' ' LEU . 78.9 t -44.76 -47.8 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -57.76 -48.09 80.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 19' ' ' GLU . 87.7 mtm180 -62.12 -63.07 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.1 mt -43.3 -44.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.2 p -67.52 -31.52 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ARG . 12.4 mt-10 -105.76 25.04 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 4.8 t70 -169.95 104.99 0.45 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.84 146.25 81.83 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.3 0.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 129.58 17.78 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.8 t -54.11 113.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.5 mmtp -61.27 -49.52 76.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' LYS . 8.8 m -36.72 152.07 0.11 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 0.92 4.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.312 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.5 m -140.78 108.7 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.39 167.47 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -72.49 174.29 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.13 107.18 19.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.8 t -137.84 107.5 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.12 122.4 28.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 39' ' ' TYR . 10.9 ttm180 -69.48 111.43 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 40' ' ' ARG . 3.9 mp -85.54 -45.0 12.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m -171.1 -178.02 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -44.23 115.69 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.56 42.75 99.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -147.37 124.35 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 34.0 m-85 -143.37 133.57 24.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.406 ' N ' HD11 ' A' ' 34' ' ' LEU . 30.5 ttm180 -78.33 96.67 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -93.19 116.58 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.88 -109.06 2.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -125.66 26.34 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -143.51 163.51 32.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 mm -109.22 119.76 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.4 mt -124.04 153.36 41.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -98.33 106.41 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.81 HG12 HG12 ' A' ' 58' ' ' VAL . 83.5 mt -93.16 113.88 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -110.89 151.95 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.451 ' HB2' HD13 ' A' ' 10' ' ' LEU . 8.9 ttt -113.24 123.44 50.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 55' ' ' HIS . 20.3 mt -76.65 111.0 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.2 m170 50.05 27.13 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 58.16 33.01 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -122.32 -41.01 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.516 ' HB2' HD12 ' A' ' 51' ' ' LEU . 3.7 m80 -119.36 139.97 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.424 HG12 ' HB2' ' A' ' 67' ' ' PHE . 91.4 t -105.28 112.23 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.4 mtp -122.02 165.99 15.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.81 HG12 HG12 ' A' ' 48' ' ' ILE . 3.3 m -128.63 157.06 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -96.63 103.66 15.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.8 HG11 ' OE2' ' A' ' 65' ' ' GLU . 32.9 m -114.4 39.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 62' ' ' GLY . . . 67.17 -83.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.478 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . -37.2 -44.71 1.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 179.79 -150.72 9.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.515 ' CE3' ' C ' ' A' ' 58' ' ' VAL . 85.7 m95 -112.97 136.06 53.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.8 ' OE2' HG11 ' A' ' 60' ' ' VAL . 14.1 pt-20 -132.46 167.26 20.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' GLY . 60.0 p -74.45 117.29 16.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.429 ' CE2' HG13 ' A' ' 14' ' ' VAL . 26.3 t80 -39.75 -57.33 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.74 -32.43 30.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -69.64 -52.3 21.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.425 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.508 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.0 t80 -59.07 -26.83 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.68 -48.34 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.754 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.07 -40.76 74.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.426 ' N ' HD12 ' A' ' 72' ' ' LEU . 21.5 mtpp -48.44 -55.46 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -74.04 -51.83 14.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.421 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 8.8 t0 -60.13 117.62 25.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.45 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.394 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.1 p -54.53 -31.14 55.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' LEU . 87.0 mtt-85 -74.61 -47.99 29.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.94 -24.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 78' ' ' ARG . 29.0 mt -82.74 38.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -108.81 -71.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 6.5 tt -76.01 155.85 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.1 t -93.05 125.24 37.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.36 148.54 50.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 86' ' ' ASP . 8.5 p -93.16 -43.71 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.474 ' N ' HG13 ' A' ' 85' ' ' VAL . 2.9 p30 -115.42 154.84 28.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.65 153.86 24.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.2 pttt -132.9 178.33 6.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.2 m -147.67 147.77 30.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.0 m -136.78 114.97 10.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.69 0.757 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 164.48 34.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.337 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 86.0 p -127.66 152.13 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.59 132.31 11.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' SER . 53.9 Cg_endo -69.74 -5.48 16.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.387 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.2 t -58.66 84.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' PRO . 79.7 p -174.39 171.26 3.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.46 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -61.98 129.48 41.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.812 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -120.81 83.18 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.6 -112.21 0.26 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.9 p -41.21 -66.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -79.52 -48.16 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.95 -131.64 40.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -125.11 95.05 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.8 tp -82.03 -51.87 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.4 tp -48.03 -46.21 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 12' ' ' ASP . 15.5 t0 -53.3 -66.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 11' ' ' ASP . 6.3 t70 -34.42 -42.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.07 -59.14 3.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.674 HG13 ' CE2' ' A' ' 67' ' ' PHE . 85.2 t -51.11 -48.37 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -60.97 -47.42 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -59.73 -59.49 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.4 mt -48.63 -45.24 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.2 p -64.43 -33.79 76.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -102.38 27.72 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.3 m-20 -171.52 105.04 0.38 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.5 Cg_endo -69.73 146.22 81.5 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.328 -0.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 129.93 18.38 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.8 t -50.43 119.35 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -70.52 -44.2 68.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -43.07 153.71 0.33 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.83 2.52 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.4 m -138.46 122.2 17.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 29' ' ' PHE . 10.3 tptm -77.19 151.0 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.443 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 3.3 t80 -61.77 178.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -105.2 107.18 18.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.6 t -138.12 109.87 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -136.33 119.17 16.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 33.8 ttp180 -66.87 119.4 11.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.53 HD13 ' HG2' ' A' ' 38' ' ' ARG . 3.5 mp -96.69 -42.39 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.4 m -142.36 178.4 7.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -44.43 -48.51 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.24 45.16 1.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.53 ' HG2' HD13 ' A' ' 34' ' ' LEU . 17.8 ttp180 -142.27 134.87 28.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 33' ' ' ARG . 40.9 m-85 -145.54 134.82 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -78.59 95.22 5.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' LYS . 86.7 t -100.61 136.93 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 35.16 63.17 0.55 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 14.6 pt-20 44.86 37.32 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.382 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.7 mttp -142.3 150.72 41.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.7 mm -101.44 106.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.2 mt -119.66 141.59 49.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -90.2 102.8 15.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.785 HG12 HG12 ' A' ' 58' ' ' VAL . 89.3 mt -90.82 130.69 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -121.02 172.85 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.3 ttt -129.17 107.38 9.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.6 mt -70.66 112.87 7.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.443 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 14.8 m170 49.16 34.92 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 4.8 p-10 47.25 35.41 3.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' CE ' ' HB3' ' A' ' 52' ' ' HIS . 30.0 mtmt -128.15 -38.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -116.27 149.0 39.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -117.58 100.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.5 mmm -108.89 165.79 11.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.785 HG12 HG12 ' A' ' 48' ' ' ILE . 4.7 m -122.77 164.3 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.55 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -108.26 107.87 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 61' ' ' GLY . 10.2 m -107.05 -176.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -35.06 -54.46 0.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.449 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -152.28 86.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.38 176.77 14.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.512 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.55 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 61.7 m95 -133.44 126.11 30.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -120.42 171.55 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' GLY . 49.6 p -75.5 117.1 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.674 ' CE2' HG13 ' A' ' 14' ' ' VAL . 26.3 t80 -37.24 -44.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.82 92.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.821 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -61.08 -40.78 99.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.548 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 4.2 t80 -66.07 -34.27 77.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.892 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 tp -70.3 -45.93 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.821 HD23 ' HA2' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -55.48 -39.69 70.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.471 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 70.4 mttt -54.62 -59.12 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -65.64 -50.18 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.431 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 7.6 t0 -70.48 118.64 66.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.724 2.283 . . . . 0.0 112.318 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.8 p -55.47 -21.91 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.431 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 87.0 mtt-85 -78.8 -34.32 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.7 mmt -50.57 -17.71 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.2 mt -77.95 45.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -129.43 -33.52 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 83' ' ' SER . 50.9 mt -141.55 152.89 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 84' ' ' ARG . 2.7 t -80.03 43.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 83' ' ' SER . 20.7 ptt180 32.34 52.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.8 t -83.87 82.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -159.75 170.46 21.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.53 107.26 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.3 147.89 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 84.9 m -126.35 149.56 49.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.427 ' HA ' ' HD2' ' A' ' 91' ' ' PRO . 3.5 t -152.05 111.6 2.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 0.0 110.841 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 90' ' ' SER . 53.7 Cg_endo -69.76 178.5 4.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.6 t -112.24 163.07 14.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -146.73 104.2 0.29 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 161.77 44.66 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 t -124.75 164.78 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 m -119.23 163.08 17.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.495 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -82.32 97.29 8.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.377 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 m -132.74 80.51 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.71 -158.99 29.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -101.39 141.75 33.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 p -101.5 132.02 47.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.47 -47.76 0.89 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.9 m120 51.89 52.66 14.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.26 -42.79 13.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 36' ' ' GLN . 15.6 tp -81.42 -44.18 17.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -52.92 -46.27 67.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -46.81 -47.8 20.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.44 -52.29 58.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.539 HG13 ' CE2' ' A' ' 67' ' ' PHE . 98.0 t -51.96 -49.73 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -67.26 -45.2 77.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 6.9 mtp-105 -57.81 -40.01 78.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.5 mt -69.45 -50.11 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.3 p -61.13 -33.27 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -87.2 -27.51 22.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -134.53 114.92 12.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 140.94 63.54 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.351 0.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 128.27 15.73 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.8 t -57.42 115.38 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' CYS . 30.7 mmtp -62.81 -50.37 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.5 m -36.56 152.49 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.08 6.17 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.306 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.0 m -142.83 105.92 4.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -62.28 160.54 12.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.93 166.17 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 40' ' ' ARG . 3.3 t -84.24 110.04 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 91.3 t -135.35 105.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -126.0 120.73 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.531 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 27.4 ttm180 -64.08 126.88 29.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.7 mt -112.1 -45.86 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.2 m -154.96 175.67 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.569 ' O ' HD23 ' A' ' 10' ' ' LEU . 21.3 pt20 -40.3 -51.91 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.35 41.86 1.81 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.515 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 6.8 ttt180 -144.61 135.02 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 30.2 m-85 -149.54 159.72 44.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 25.5 ttt180 -87.99 111.77 21.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.5 t -115.54 127.03 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.72 53.88 2.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 55.99 37.88 29.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -142.43 147.2 35.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.1 mm -97.7 101.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.667 HD22 HG12 ' A' ' 60' ' ' VAL . 25.2 mt -117.66 141.51 48.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -84.14 120.7 26.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.783 HG12 HG12 ' A' ' 58' ' ' VAL . 78.4 mt -107.71 117.54 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -109.08 172.45 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.485 ' HB2' HD13 ' A' ' 10' ' ' LEU . 7.0 ttt -128.06 121.02 28.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 mt -79.43 107.35 12.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 51.21 32.72 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m120 53.28 35.48 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -125.06 -41.94 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -121.71 150.19 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.5 t -115.93 111.96 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.9 mmm -112.32 165.11 12.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.783 HG12 HG12 ' A' ' 48' ' ' ILE . 4.6 m -125.9 151.87 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.557 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -95.91 106.39 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.667 HG12 HD22 ' A' ' 46' ' ' LEU . 26.1 m -141.95 132.96 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 62' ' ' GLY . . . 33.57 78.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . 30.11 41.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.561 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . -151.46 135.51 5.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.427 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 85.8 m95 -110.88 122.3 47.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -125.83 172.87 9.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 69' ' ' GLY . 71.9 p -74.82 118.49 17.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CE2' HG13 ' A' ' 14' ' ' VAL . 23.5 t80 -36.65 -56.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.66 62.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -66.14 -34.73 89.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.494 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 8.5 t80 -78.95 -24.01 44.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 tp -84.44 -42.75 15.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.71 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -69.49 -41.6 75.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' N ' HD12 ' A' ' 72' ' ' LEU . 12.4 ptmt -59.88 -37.36 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -80.15 -48.7 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 2.2 t70 -72.1 129.76 87.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -55.57 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.305 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.4 p -52.96 -27.25 18.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.446 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 84.2 mtt-85 -75.19 -42.84 54.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.512 ' HE3' ' HA ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -46.28 -27.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.63 78.07 9.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -119.41 -69.95 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.3 mt -132.99 -66.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t -172.7 127.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -169.56 137.36 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 p -142.52 116.47 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -136.64 169.89 16.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.63 116.16 0.7 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 89' ' ' THR . 31.2 tptt -156.97 154.24 29.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.453 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 73.8 p -111.35 173.18 6.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.5 p -41.32 134.37 1.96 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.649 0.738 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -50.82 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 t -175.07 129.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.9 133.92 43.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.75 18.19 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.33 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 98.4 p -109.25 -32.7 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.9 m -110.43 126.46 54.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.481 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t 66.57 42.31 2.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -160.07 143.36 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.5 177.2 16.42 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -157.63 126.45 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -77.54 -45.97 23.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.23 112.14 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -95.63 135.17 37.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.342 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.9 -50.66 10.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.665 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.7 tp -55.36 -60.08 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -39.3 -54.44 1.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -56.64 -53.0 62.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -23.26 63.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' LEU . 98.6 t -81.4 -32.33 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.187 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -79.88 -40.94 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.524 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 11.4 ptm180 -55.75 -47.33 77.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.524 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 60.7 mt -61.51 -47.02 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.0 p -64.13 -25.25 68.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -107.15 26.05 10.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.447 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 33.5 t70 -174.9 105.01 0.26 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.4 Cg_endo -69.76 146.55 82.51 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.314 -0.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 128.96 16.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.4 ' HB3' ' HZ2' ' A' ' 28' ' ' LYS . 39.4 t -51.56 109.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -61.28 -43.99 97.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -42.36 152.95 0.32 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.67 2.65 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.329 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.1 m -143.61 110.68 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HZ2' ' HB3' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -64.96 153.71 39.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -60.38 171.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 t -100.05 108.66 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.0 t -134.09 106.21 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -122.66 141.48 51.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.411 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 58.7 ttt-85 -88.77 126.7 35.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.723 HD11 HD12 ' A' ' 45' ' ' ILE . 19.7 mt -103.59 -48.88 3.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.7 m -164.7 -179.76 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -58.05 95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.44 39.31 4.78 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.613 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.4 tpt180 -159.14 129.82 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.823 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 18.1 m-85 -151.83 151.39 31.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 43' ' ' GLU . 15.2 ttt85 -89.91 104.44 17.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.43 HG11 ' CE1' ' A' ' 70' ' ' TYR . 96.9 t -103.25 110.22 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.8 55.47 27.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 40' ' ' ARG . 39.7 mt-10 56.98 36.84 28.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 110.868 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -143.5 143.28 31.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.723 HD12 HD11 ' A' ' 34' ' ' LEU . 38.3 mm -97.88 103.91 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.414 HD11 ' CZ ' ' A' ' 70' ' ' TYR . 33.9 mt -118.63 137.01 53.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -77.87 121.95 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.771 HG12 HG12 ' A' ' 58' ' ' VAL . 76.0 mt -113.62 123.09 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 6.3 ptm85 -114.92 172.67 6.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.428 ' HB2' HD13 ' A' ' 10' ' ' LEU . 6.3 ttt -131.14 124.54 30.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -88.92 110.07 20.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 53.13 33.51 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 48.96 37.49 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -130.2 -38.93 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -118.02 143.01 46.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.2 t -114.24 100.57 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.4 mtt -102.24 165.82 10.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.771 HG12 HG12 ' A' ' 48' ' ' ILE . 14.2 m -127.96 162.1 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 12.3 tpt180 -105.0 104.31 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.44 HG13 HG23 ' A' ' 58' ' ' VAL . 30.1 m -122.7 158.58 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.52 100.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.31 -40.79 1.51 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.61 -159.41 32.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 73.7 m95 -105.98 142.02 36.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.691 0.281 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -137.63 170.41 16.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 69' ' ' GLY . 59.7 p -75.76 121.21 22.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.438 ' CE2' HG13 ' A' ' 14' ' ' VAL . 28.4 t80 -41.63 -48.57 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.25 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -69.41 -47.09 53.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 1.7 t80 -62.57 -33.87 75.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.929 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 tp -69.79 -47.2 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.788 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -62.06 -38.17 87.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -53.75 -52.64 59.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -74.68 -52.16 12.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.423 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 8.6 t0 -61.54 117.43 27.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.712 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -47.75 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.344 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.7 p -57.22 -35.61 69.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 80.4 mtt-85 -64.04 -46.68 83.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 mmt -39.86 -29.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -78.84 68.33 4.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 82' ' ' ILE . 15.9 mt-30 -124.38 81.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.543 ' N ' HD12 ' A' ' 82' ' ' ILE . 2.7 mp 35.93 54.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 t -154.07 175.62 13.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -103.96 156.5 17.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.1 m -75.14 171.98 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -140.27 158.52 43.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -59.32 -165.95 0.16 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -64.61 144.03 57.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.7 m -121.91 85.66 2.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.2 p -49.62 131.01 19.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.689 0.756 . . . . 0.0 110.811 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 162.97 40.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.232 . . . . 0.0 112.362 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.9 p -79.13 -43.77 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.15 91.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 107.62 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.2 m -118.38 152.11 36.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.9 t -171.77 151.25 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.517 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -153.8 142.33 20.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -140.22 150.0 43.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.24 -157.36 1.0 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 p -118.09 111.37 18.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 p -101.85 -55.29 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.94 84.73 1.3 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -126.66 127.54 45.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.337 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.4 mm? -69.77 -48.96 57.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.3 tp -42.44 -68.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -41.42 -63.47 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.4 -58.06 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.02 -56.97 7.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.683 HG13 ' CE2' ' A' ' 67' ' ' PHE . 86.9 t -46.64 -38.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -67.94 -46.24 72.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -47.27 -58.92 3.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.517 HG21 ' HB2' ' A' ' 68' ' ' ALA . 18.4 mt -54.39 -44.39 66.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 p -65.17 -25.58 67.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -110.4 25.66 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -175.15 104.99 0.26 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 110.86 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.7 Cg_endo -69.79 146.59 82.69 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.65 16.35 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.625 2.217 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.2 t -50.72 111.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.4 mmtm -58.86 -51.98 67.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.4 m -36.41 153.13 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -0.21 6.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.1 t -128.79 139.37 52.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.91 151.24 21.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.73 169.56 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' O ' ' A' ' 40' ' ' ARG . 1.8 t -95.21 109.29 21.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.8 t -139.18 106.12 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -138.35 136.85 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -77.28 122.37 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.696 HD11 HD12 ' A' ' 45' ' ' ILE . 11.4 mt -96.97 -49.0 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.6 m -158.92 178.24 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -50.04 111.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.12 38.35 73.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -147.29 126.32 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -140.01 144.93 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 30' ' ' CYS . 18.5 ttp180 -83.23 102.83 12.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.2 t -99.82 115.97 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.31 -114.16 5.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -119.18 28.27 8.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -144.58 161.05 40.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.696 HD12 HD11 ' A' ' 34' ' ' LEU . 48.3 mm -107.71 126.56 64.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.4 mt -133.35 166.09 23.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -109.66 99.46 8.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.837 HG12 HG12 ' A' ' 58' ' ' VAL . 88.6 mt -89.47 129.19 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -129.93 167.14 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.8 ttt -117.03 95.9 5.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.841 HD21 ' HG3' ' A' ' 57' ' ' MET . 0.1 OUTLIER -67.83 117.08 9.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 60.39 27.86 17.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.5 m120 41.97 29.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -127.06 -33.46 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.483 ' HB2' ' CD1' ' A' ' 51' ' ' LEU . 98.4 m-70 -121.51 135.89 54.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.6 t -104.74 103.72 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.841 ' HG3' HD21 ' A' ' 51' ' ' LEU . 5.5 mtt -111.13 165.89 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.837 HG12 HG12 ' A' ' 48' ' ' ILE . 4.0 m -123.01 162.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.564 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -103.83 101.89 11.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 60' ' ' VAL . 4.4 m -101.92 40.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.43 -80.11 1.45 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.0 60.66 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.9 165.35 13.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.534 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.592 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 62.9 m95 -135.99 121.96 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.51 ' OE2' HG11 ' A' ' 60' ' ' VAL . 10.7 pt-20 -118.6 171.08 8.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 69' ' ' GLY . 43.6 p -75.37 120.41 20.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.683 ' CE2' HG13 ' A' ' 14' ' ' VAL . 40.2 t80 -38.12 -46.9 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' A' ' 17' ' ' ILE . . . -60.04 -37.97 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.507 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -68.79 -35.8 80.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.9 t80 -72.15 -35.93 69.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 0.0 110.945 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.16 -50.14 43.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.625 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.31 -39.12 72.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -51.16 -54.31 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -72.67 -53.94 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.5 t0 -57.17 118.21 22.9 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -47.5 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.0 p -57.72 -35.64 70.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.425 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 68.3 mtt-85 -66.42 -42.67 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.6 mtt -40.42 -29.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt -46.68 -45.62 19.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -64.71 170.2 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.1 tp -94.41 133.03 36.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.3 t -163.68 149.69 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -77.62 125.67 29.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 85' ' ' VAL . 7.8 p -125.87 122.85 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -171.14 143.56 1.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.57 157.46 13.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -98.73 126.79 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.6 p -55.4 127.08 27.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.1 m -153.97 151.81 25.48 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.688 0.756 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 171.1 15.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.5 t -149.2 147.72 28.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.31 75.21 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 148.18 64.33 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.645 2.23 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.9 p -169.25 110.72 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.5 t -166.5 171.74 11.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.531 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 t -39.02 -52.89 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -78.47 157.67 28.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.6 44.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 t -84.38 82.49 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.917 0.389 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -140.46 173.61 11.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.96 155.49 33.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -127.75 140.86 51.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.373 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' LEU . 9.0 mp -98.32 -47.62 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.6 tp -37.13 -61.31 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.509 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -41.92 -53.42 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.509 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 7.1 t70 -53.65 -49.38 68.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HA ' ' CD ' ' A' ' 16' ' ' ARG . . . -66.42 -22.23 66.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 10' ' ' LEU . 99.1 t -82.96 -35.38 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -76.06 -38.1 57.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.496 ' CD ' ' HA ' ' A' ' 13' ' ' ALA . 25.8 ptt180 -56.74 -47.67 79.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.483 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 61.0 mt -61.81 -50.04 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 11.0 p -59.72 -31.95 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.39 -25.11 22.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 1.2 t70 -136.08 114.12 10.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.8 140.54 61.29 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.349 0.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 132.81 24.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 15.7 t -58.64 116.04 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 25' ' ' CYS . 41.9 mmtm -65.66 -50.16 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.4 m -35.05 152.65 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.98 3.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.6 m -137.46 127.84 26.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.06 152.27 27.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -64.28 168.9 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.48 107.38 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.1 t -137.42 105.72 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -125.18 148.46 48.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -86.3 121.29 28.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.553 HD13 HD12 ' A' ' 45' ' ' ILE . 19.0 mt -104.34 -47.58 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -148.76 176.36 10.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -41.19 -50.47 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.02 40.31 2.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.48 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 8.7 ttm180 -138.48 136.13 35.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 35.7 m-85 -148.21 149.66 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -89.17 103.9 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -109.34 125.75 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.19 52.78 6.94 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 56.52 41.32 28.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -143.87 151.72 40.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.553 HD12 HD13 ' A' ' 34' ' ' LEU . 27.3 mm -104.76 106.43 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 mt -123.63 152.79 41.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -100.17 103.09 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.756 HG12 HG12 ' A' ' 58' ' ' VAL . 52.6 mt -91.41 133.75 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.165 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.561 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 11.7 ptp180 -124.38 153.12 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.498 ' HE1' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -116.42 117.52 30.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -92.23 127.39 37.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.454 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 11.2 m-70 47.08 29.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 3.2 p-10 46.8 33.13 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 2.4 ptmm? -135.03 -38.38 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.788 ' HB2' HD12 ' A' ' 51' ' ' LEU . 33.6 m-70 -103.23 124.62 48.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.498 HG23 ' HE1' ' A' ' 50' ' ' MET . 93.2 t -107.79 99.64 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.42 ' SD ' HG22 ' A' ' 66' ' ' THR . 7.4 mmm -110.88 166.22 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.756 HG12 HG12 ' A' ' 48' ' ' ILE . 8.8 m -127.51 151.94 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.526 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 3.2 tmm_? -92.89 115.56 28.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 60' ' ' VAL . 17.5 m -125.12 52.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.3 -105.29 2.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.09 50.12 0.82 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.573 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -180.0 146.74 7.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.561 ' CZ3' ' HG2' ' A' ' 49' ' ' ARG . 94.0 m95 -117.7 129.3 55.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -127.66 164.75 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' GLY . 39.5 p -75.37 123.25 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.45 ' HB2' HG12 ' A' ' 56' ' ' VAL . 23.4 t80 -38.46 -48.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.41 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -61.34 -43.36 99.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.502 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 6.9 t80 -72.98 -24.5 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.932 0.396 . . . . 0.0 110.934 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.427 HD23 ' CZ ' ' A' ' 78' ' ' ARG . 10.8 tp -85.25 -33.07 22.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.763 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -73.16 -38.72 66.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -59.83 -41.93 92.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -80.86 -47.81 13.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.428 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.9 t0 -70.67 119.21 71.37 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.601 0.715 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 54.1 Cg_endo -69.73 -47.08 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.5 p -58.58 -32.11 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.428 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 87.9 mtt-85 -66.89 -45.89 76.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.0 ttt -45.58 -43.73 12.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 79' ' ' MET . 17.7 mt -33.8 -38.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 80' ' ' LEU . 17.0 mt-30 -34.87 113.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.495 HG22 ' N ' ' A' ' 83' ' ' SER . 71.4 mt -44.7 156.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.495 ' N ' HG22 ' A' ' 82' ' ' ILE . 75.6 m 60.46 46.21 9.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -87.23 42.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.7 m -105.89 42.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.68 98.31 5.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.59 142.46 12.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -152.13 158.87 43.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.9 m -148.39 137.92 22.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 t -76.25 136.85 68.52 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.54 4.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.349 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 93' ' ' GLY . 80.7 p -105.41 85.93 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 92' ' ' SER . . . 34.86 89.87 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -18.73 37.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 41.7 t -166.74 127.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.1 m 55.14 43.29 29.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.472 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -78.4 85.44 4.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -112.28 176.68 4.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.12 -155.34 0.86 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.424 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 t 61.17 41.8 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -120.98 85.48 2.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.42 70.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -135.5 137.04 41.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.97 -52.43 65.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 24.4 tp -43.94 -57.83 3.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.58 -58.43 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.27 -40.99 1.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.85 -53.94 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -49.34 -51.03 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -55.12 -47.65 74.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -61.72 -57.46 11.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 mt -47.35 -47.74 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.435 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 62.5 p -67.47 -28.86 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -110.23 29.23 7.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.3 t70 -175.08 105.01 0.26 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.8 Cg_endo -69.79 145.0 78.27 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.356 -0.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.46 17.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.9 t -55.57 125.0 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' CYS . 55.7 mmtt -78.05 -46.97 19.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.6 m -37.51 153.23 0.12 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 3.92 2.52 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.5 m -131.21 119.12 21.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -76.2 150.21 37.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -66.49 158.49 29.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.9 t -89.34 106.91 18.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 71.5 t -136.36 105.25 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -128.17 133.85 48.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -81.15 129.3 34.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.455 ' CD1' HD12 ' A' ' 45' ' ' ILE . 15.5 mt -114.44 -50.72 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.7 m -149.54 174.99 11.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.12 90.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' HA2' HD21 ' A' ' 10' ' ' LEU . . . 111.28 -33.04 6.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.481 ' CZ ' HG21 ' A' ' 45' ' ' ILE . 17.6 ttt180 -79.42 133.59 36.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.822 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.558 ' HB2' HD12 ' A' ' 48' ' ' ILE . 47.7 m-85 -148.43 147.6 29.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 46.1 ttt85 -85.44 107.86 17.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.8 t -116.17 121.87 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 49.93 59.31 7.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 19.5 pt-20 46.87 38.73 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -144.76 147.75 33.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.481 HG21 ' CZ ' ' A' ' 38' ' ' ARG . 42.0 mm -97.51 115.77 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.0 mt -127.2 142.45 51.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -89.21 97.99 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.558 HD12 ' HB2' ' A' ' 39' ' ' TYR . 79.5 mt -86.79 133.16 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -119.42 172.42 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 10' ' ' LEU . 3.8 ttt -134.22 103.41 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.62 114.62 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 45.75 34.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m120 48.07 36.99 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -126.77 -37.89 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -120.04 149.35 42.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.5 t -115.62 115.86 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.435 ' SD ' HG22 ' A' ' 66' ' ' THR . 21.4 mmm -125.39 156.1 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.428 HG23 HG13 ' A' ' 60' ' ' VAL . 1.0 OUTLIER -117.14 151.05 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.16 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -88.54 134.06 33.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.551 HG11 ' OE2' ' A' ' 65' ' ' GLU . 33.4 m -146.76 130.81 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . 34.04 -91.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 60' ' ' VAL . . . -135.42 52.22 0.8 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -172.92 176.78 45.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 59' ' ' ARG . 65.7 m95 -137.34 124.4 21.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.769 0.318 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.551 ' OE2' HG11 ' A' ' 60' ' ' VAL . 1.4 pm0 -112.3 -173.95 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.435 HG22 ' SD ' ' A' ' 57' ' ' MET . 38.9 p -94.53 111.46 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' THR . 32.0 t80 -35.88 -56.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.99 -50.35 61.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.15 -39.36 97.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.479 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.3 t80 -64.62 -31.1 72.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.943 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.9 tp -69.92 -37.38 75.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -64.84 -48.6 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -47.49 -50.54 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -72.14 -57.5 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.436 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.0 t0 -69.46 119.55 71.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.74 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -52.04 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.317 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.465 ' O ' HD12 ' A' ' 80' ' ' LEU . 10.0 p -53.88 -35.33 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 50.2 mtt-85 -64.17 -55.06 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.466 ' O ' ' N ' ' A' ' 81' ' ' GLN . 5.3 mmt -39.75 -37.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 77' ' ' CYS . 62.1 mt -33.82 -35.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.651 ' C ' HD12 ' A' ' 82' ' ' ILE . 37.7 mt-30 -33.32 -48.55 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.651 HD12 ' C ' ' A' ' 81' ' ' GLN . 3.7 mp -149.39 138.0 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' ILE . 24.3 p -34.57 124.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 178.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.9 m -149.26 166.1 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -102.87 106.91 17.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -164.04 117.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -137.42 151.86 48.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.7 m -135.57 136.99 41.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' A' ' 91' ' ' PRO . 25.0 m -111.3 104.74 56.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.665 0.745 . . . . 0.0 110.849 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 90' ' ' SER . 53.2 Cg_endo -69.75 -3.14 11.4 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.336 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.0 m 51.92 42.87 30.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -170.97 92.73 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 95' ' ' SER . 53.7 Cg_endo -69.82 1.83 4.12 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 94' ' ' PRO . 74.6 p -36.25 148.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.8 t -111.67 89.83 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.462 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -95.37 152.0 18.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -45.44 -45.64 13.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.32 81.23 1.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -125.51 151.0 46.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 t -143.71 163.32 33.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 132.26 -40.02 1.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 7' ' ' GLY . 5.3 m-20 -35.29 140.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 9' ' ' LEU . 4.0 tt -91.96 -42.82 9.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.652 HD13 ' HB2' ' A' ' 50' ' ' MET . 7.0 tp -44.71 -63.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.54 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -34.56 -55.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.54 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 12.6 t0 -60.46 -47.26 86.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.492 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . . . -63.64 -23.52 67.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 10' ' ' LEU . 96.2 t -81.43 -36.0 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -75.37 -40.14 58.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 7.6 ptp180 -56.47 -48.01 78.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.527 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 68.9 mt -58.46 -39.57 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.451 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 13.1 p -72.89 -21.82 60.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -111.55 24.02 13.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 20.8 m-20 -174.05 105.44 0.29 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.77 144.54 76.94 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.314 0.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.05 16.95 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.234 . . . . 0.0 112.383 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.0 t -56.0 113.98 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' CYS . 12.1 mmtp -71.19 -46.41 61.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.8 m -35.7 153.55 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.88 2.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.727 2.284 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 m -140.08 121.57 15.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -76.2 162.38 28.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -75.31 174.66 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.19 107.47 19.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.6 t -137.35 105.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -130.2 154.78 47.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -95.27 128.81 42.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.455 HD13 HD12 ' A' ' 45' ' ' ILE . 7.0 mt -116.25 -44.36 2.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.1 m -156.0 168.94 25.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -53.81 101.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.14 -15.88 61.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -96.39 133.76 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -151.31 146.55 26.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -79.77 123.85 28.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -127.44 118.57 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.05 47.98 19.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 61.92 39.53 13.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -143.8 145.04 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.455 HD12 HD13 ' A' ' 34' ' ' LEU . 49.1 mm -98.04 105.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.8 mt -118.87 158.78 25.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -102.42 102.33 12.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.775 HG12 HG12 ' A' ' 58' ' ' VAL . 80.1 mt -89.92 114.18 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -107.54 170.71 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.652 ' HB2' HD13 ' A' ' 10' ' ' LEU . 6.8 ttt -131.34 118.22 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.412 HD12 ' HB2' ' A' ' 55' ' ' HIS . 12.9 mt -79.49 109.48 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 54.39 30.71 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 51.85 36.66 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -128.09 -41.61 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.412 ' HB2' HD12 ' A' ' 51' ' ' LEU . 19.2 m-70 -116.09 139.12 50.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.19 111.37 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mtp -115.34 165.91 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.775 HG12 HG12 ' A' ' 48' ' ' ILE . 5.2 m -127.96 155.32 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.555 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -101.21 105.21 16.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.475 HG13 HG23 ' A' ' 58' ' ' VAL . 33.3 m -123.1 166.69 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.11 102.35 0.41 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.46 -36.11 2.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.98 -145.49 9.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.555 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 38.9 m95 -129.31 135.6 48.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -128.13 178.15 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 69' ' ' GLY . 53.2 p -83.7 119.48 24.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.18 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -39.14 -52.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.95 67.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -73.05 -35.99 57.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.519 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.7 t80 -74.77 -26.46 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.921 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.7 tp -84.28 -43.13 15.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.763 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -66.25 -41.02 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.499 ' N ' HD12 ' A' ' 72' ' ' LEU . 10.2 ptpt -62.75 -33.36 74.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 10.9 m80 -81.85 -47.61 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 2.2 t0 -77.57 127.54 82.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.719 . . . . 0.0 110.842 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -54.65 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.437 ' O ' HD12 ' A' ' 80' ' ' LEU . 3.2 p -52.5 -35.83 53.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 18' ' ' SER . 64.0 mtt-85 -62.95 -48.55 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.4 mtp -41.25 -28.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 77' ' ' CYS . 29.0 mt -42.23 -34.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -83.02 36.47 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.3 mm -131.67 104.7 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.5 p -62.07 -43.95 97.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -151.79 130.23 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 86' ' ' ASP . 10.6 p -111.09 153.5 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.414 ' N ' HG22 ' A' ' 85' ' ' VAL . 8.5 m-20 -81.44 -47.43 13.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.43 125.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.476 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -151.9 148.32 27.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.357 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.8 m -72.92 134.88 44.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 t -122.15 88.14 48.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.706 0.765 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 106.49 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.324 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 t -155.14 146.65 23.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.69 144.78 9.93 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.58 45.36 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 t -71.16 94.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 p -139.52 176.85 8.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.518 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 t -83.96 47.43 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -76.32 -52.82 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.0 130.22 4.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -85.67 150.12 24.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.371 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m 55.27 41.18 31.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.43 -114.88 3.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 46.28 45.13 13.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.26 -39.43 86.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 14' ' ' VAL . 19.7 tp -53.89 -52.14 61.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.88 -48.92 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.26 -43.8 98.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.02 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.558 HG13 ' CE2' ' A' ' 67' ' ' PHE . 87.6 t -58.86 -43.22 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -64.18 -45.86 86.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -65.4 -58.25 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mt -48.74 -50.5 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.6 p -57.85 -32.39 67.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -104.99 28.39 7.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 31.4 t0 -173.78 105.06 0.3 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.567 0.699 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.8 Cg_endo -69.75 146.08 81.16 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.377 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 131.66 21.76 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 39.7 t -56.41 107.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -64.62 -42.68 95.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.0 m -39.67 152.61 0.2 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 2.65 3.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.1 m -143.96 108.26 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -65.41 160.09 22.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -72.32 172.36 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.49 113.67 25.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.9 t -138.21 105.72 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -124.93 137.32 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 5.1 tmm_? -85.17 122.61 29.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 45' ' ' ILE . 14.3 mt -108.34 -50.7 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -142.34 176.62 8.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -40.53 -57.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 48' ' ' ILE . . . -117.58 41.23 2.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.485 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 18.5 ttp180 -138.78 128.46 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.332 . . . . 0.0 110.896 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 24.9 m-85 -146.74 160.3 42.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' NH1' ' HA ' ' A' ' 43' ' ' GLU . 11.9 ttm-85 -92.99 111.76 23.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.0 t -115.01 114.12 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 51.74 52.0 36.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HA ' ' NH1' ' A' ' 40' ' ' ARG . 4.6 tt0 59.23 39.6 22.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.959 0.409 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -142.79 153.5 43.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.417 HD12 ' CD1' ' A' ' 34' ' ' LEU . 50.4 mm -105.67 107.65 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.4 mt -116.91 159.7 22.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -104.61 99.77 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.698 HG12 HG12 ' A' ' 58' ' ' VAL . 41.4 mt -93.19 135.23 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.55 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 35.1 ptt180 -131.21 165.55 23.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.7 ttt -122.66 114.35 20.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.07 105.28 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 56.56 32.89 21.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.7 m120 48.93 37.84 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -130.1 -37.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -118.79 148.07 43.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 67' ' ' PHE . 95.2 t -112.96 113.55 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.3 mmm -124.41 165.7 17.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.698 HG12 HG12 ' A' ' 48' ' ' ILE . 3.8 m -130.19 164.63 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.57 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 12.4 tpt180 -104.69 108.04 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.493 HG21 ' OE1' ' A' ' 65' ' ' GLU . 35.9 m -111.87 39.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 46.06 89.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.0 -44.24 1.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.78 172.38 37.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 85.8 m95 -110.08 130.8 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.493 ' OE1' HG21 ' A' ' 60' ' ' VAL . 4.6 pt-20 -124.07 167.94 13.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 69.7 p -75.04 117.17 16.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.558 ' CE2' HG13 ' A' ' 14' ' ' VAL . 30.2 t80 -35.84 -54.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.35 -39.07 63.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.591 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -61.7 -45.17 96.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.2 t80 -67.22 -32.96 74.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 tp -69.32 -44.48 71.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.591 HD23 ' HA2' ' A' ' 69' ' ' GLY . 0.4 OUTLIER -60.21 -40.37 89.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.974 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 31.7 mttm -49.0 -53.02 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -77.18 -48.23 18.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 10.3 t0 -66.25 116.42 33.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.561 0.696 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.09 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.354 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.6 p -54.82 -27.0 38.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 75.8 mtt-85 -75.52 -41.42 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.9 mmt -42.35 -38.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 81' ' ' GLN . 76.3 mt -37.84 -36.64 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 80' ' ' LEU . 13.0 mm-40 -34.32 132.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.7 mt -52.34 -46.13 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.0 t -38.67 122.6 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -42.44 164.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.72 147.81 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -123.76 160.42 27.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.09 138.41 7.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -149.98 173.98 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.866 0.365 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.9 m -74.17 94.92 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.585 ' CB ' ' CD ' ' A' ' 91' ' ' PRO . 0.6 OUTLIER -81.86 -67.16 0.22 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.693 0.758 . . . . 0.0 110.826 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 90' ' ' SER . 54.1 Cg_endo -69.76 125.67 12.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.6 p -174.31 106.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.59 117.72 0.56 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -178.31 2.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.9 t -165.4 138.24 4.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.6 t -160.09 155.32 25.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.484 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t 55.18 42.34 30.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 p -147.25 143.09 27.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.18 -48.28 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -62.98 -52.55 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.88 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 m -47.6 139.87 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.49 95.0 1.71 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -85.88 89.2 7.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' O ' HD13 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -96.87 -59.51 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 14' ' ' VAL . 19.5 tp -36.05 -57.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -41.18 -54.65 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.532 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 6.2 t70 -48.95 -53.17 20.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' HA ' ' CD ' ' A' ' 16' ' ' ARG . . . -62.62 -24.63 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.07 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 10' ' ' LEU . 83.7 t -79.98 -34.03 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -79.52 -44.34 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 50.1 ptt85 -51.85 -51.11 58.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.52 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 66.7 mt -56.73 -46.97 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 p -62.89 -22.22 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -111.27 25.16 12.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.9 t0 -174.57 105.0 0.27 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.2 Cg_endo -69.75 144.45 76.64 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.297 0.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 131.05 20.43 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.393 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.5 t -58.32 120.98 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 25' ' ' CYS . 61.0 mmtt -73.72 -48.61 30.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.6 m -35.93 151.32 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 110.947 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.56 3.45 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.8 m -137.62 109.11 6.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -62.64 168.81 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -79.9 170.9 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.2 t -90.82 107.79 19.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.9 t -138.68 105.69 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -136.44 123.35 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 -73.68 132.29 42.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 45' ' ' ILE . 6.4 mt -110.56 -44.94 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.0 m -159.88 -175.44 5.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.69 106.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.74 30.63 31.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.54 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 17.9 ttm180 -145.6 127.59 15.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 43.3 m-85 -146.66 149.31 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -82.98 114.94 21.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' LYS . 90.7 t -116.81 127.26 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 38.67 51.02 2.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 60.67 38.62 18.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.394 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.7 mttm -141.23 154.59 45.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.442 HD12 ' CD1' ' A' ' 34' ' ' LEU . 46.4 mm -105.23 100.88 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.9 mt -114.36 154.55 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -102.29 99.63 9.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.739 HG12 HG12 ' A' ' 58' ' ' VAL . 44.0 mt -92.61 121.09 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.581 ' NH1' HD23 ' A' ' 51' ' ' LEU . 3.5 ttp85 -121.32 157.51 30.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.504 ' N ' ' HG3' ' A' ' 49' ' ' ARG . 6.0 ttt -107.74 135.43 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.581 HD23 ' NH1' ' A' ' 49' ' ' ARG . 14.4 mt -91.84 102.98 15.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 57.44 36.62 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 23.5 t30 46.34 40.31 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -134.09 -34.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.498 ' HB2' HD12 ' A' ' 51' ' ' LEU . 20.2 m-70 -123.48 149.67 44.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.5 t -118.18 103.6 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.4 mmm -113.84 165.06 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.739 HG12 HG12 ' A' ' 48' ' ' ILE . 3.0 m -121.7 143.06 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 2.1 tmt_? -94.05 115.51 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 63' ' ' GLY . 5.1 m -116.12 21.68 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.47 ' HA2' ' CZ ' ' A' ' 59' ' ' ARG . . . 94.99 85.31 1.67 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.54 -36.87 2.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.448 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -104.61 144.85 15.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 44.5 m95 -126.94 136.61 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.736 0.303 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -131.81 170.34 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' GLY . 61.8 p -76.68 119.17 20.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.142 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -41.38 -51.48 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.26 -32.57 64.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -71.43 -48.12 31.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.53 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 5.4 t80 -63.11 -24.17 67.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 tp -84.89 -50.65 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.662 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -57.13 -33.21 67.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -68.92 -39.43 79.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.487 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 13.5 m80 -75.04 -48.14 25.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -79.99 129.16 71.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.565 0.697 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -55.9 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 p -51.95 -28.03 15.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.5 mtt-85 -71.82 -38.02 70.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 36.4 mtp -44.7 -38.28 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.7 mt -41.03 -42.48 1.94 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -38.01 145.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.6 92.9 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 t -167.53 157.97 11.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -97.78 168.7 10.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.2 t -89.01 -53.48 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.5 t70 58.38 43.71 19.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -117.52 118.6 4.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -170.65 119.57 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.347 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.3 t -164.17 139.5 5.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.2 t -49.03 139.75 12.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.63 0.729 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 174.8 8.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.1 p -167.56 148.72 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -179.1 73.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -173.68 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 t -95.23 116.27 28.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.9 p -124.61 158.72 32.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.082 -0.843 . . . . 0.0 112.476 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -162.0 155.11 20.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 0.0 110.829 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 m -97.85 83.42 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.7 -121.47 3.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -102.12 81.42 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.838 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -108.51 84.55 1.95 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.63 126.48 3.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -108.39 162.47 14.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 9' ' ' LEU . 3.7 mm? -91.26 -43.12 10.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.729 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.6 tp -57.23 -56.45 21.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.85 -50.18 27.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.89 -43.97 94.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.467 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . . . -67.03 -23.8 65.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 10' ' ' LEU . 99.2 t -83.15 -39.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -72.86 -35.73 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 9.7 ptp180 -60.99 -46.38 90.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.589 HG21 ' HB2' ' A' ' 68' ' ' ALA . 73.7 mt -62.52 -42.7 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 p -70.54 -15.16 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -115.82 24.22 11.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 3.0 m-20 -174.15 105.03 0.28 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.588 0.709 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.7 Cg_endo -69.75 145.98 80.89 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.326 0.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 127.0 13.97 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.0 t -52.53 121.37 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' CYS . 41.6 mttt -80.78 -42.62 21.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.3 m -38.1 153.53 0.14 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.98 2.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 2.28 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.2 m -140.1 117.64 11.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 141.34 51.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -53.31 165.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.4 t -92.17 108.46 19.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 82.5 t -136.4 105.92 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -126.82 132.62 50.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.579 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -83.4 122.03 27.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 45' ' ' ILE . 22.0 mt -107.52 -45.91 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -144.18 174.48 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.433 ' O ' HD23 ' A' ' 10' ' ' LEU . 10.5 mm100 -44.87 -48.3 11.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.59 40.01 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.534 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 41.5 ttp180 -141.08 136.1 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 55.9 m-85 -154.65 152.17 29.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 34.5 ttm180 -84.51 127.59 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.85 119.5 45.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.84 51.97 17.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 59.16 40.24 21.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -144.16 155.69 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 34' ' ' LEU . 39.3 mm -107.4 99.55 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.4 mt -110.1 147.22 34.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -94.66 103.47 15.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.778 HG12 HG12 ' A' ' 58' ' ' VAL . 70.1 mt -96.5 134.52 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -129.15 167.33 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.4 ttt -124.59 121.72 35.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 5.5 mp -79.01 103.59 9.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 55.27 33.14 20.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 51.06 38.85 21.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -127.38 -36.76 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -123.26 150.41 43.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.42 102.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.473 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 6.4 mtp -111.66 165.69 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.778 HG12 HG12 ' A' ' 48' ' ' ILE . 4.8 m -127.73 163.01 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.554 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -107.72 105.16 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 61' ' ' GLY . 31.2 m -129.69 139.25 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -36.16 105.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.8 -42.42 1.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 172.31 -149.99 12.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.554 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 49.8 m95 -126.8 131.31 51.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.749 0.309 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -124.57 175.49 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' GLY . 72.8 p -79.4 114.23 18.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 14' ' ' VAL . 29.0 t80 -35.45 -56.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.589 ' HB2' HG21 ' A' ' 17' ' ' ILE . . . -52.81 -39.32 62.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.74 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -64.35 -41.29 98.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.6 t80 -68.88 -33.62 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.2 tp -72.04 -46.89 55.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.74 HD23 ' HA2' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -56.07 -40.27 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.42 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 36.8 mtpt -62.22 -63.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -53.63 -43.76 69.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 3.2 t0 -77.69 124.55 86.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.411 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 53.7 Cg_endo -69.72 -55.3 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.25 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.0 p -51.87 -36.48 48.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.425 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 64.8 mtt-85 -65.88 -41.73 91.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 81' ' ' GLN . 4.3 ttt -48.35 -43.07 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 81' ' ' GLN . 46.1 mt -35.12 -31.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 79' ' ' MET . 74.5 mt-30 -32.81 -71.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.3 mt -130.93 -43.87 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.4 t 40.5 53.38 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -68.48 -52.04 36.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -114.75 177.86 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -80.97 45.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 55.65 -109.63 1.5 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 89' ' ' THR . 9.3 tmtt? -164.08 147.06 9.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 88' ' ' LYS . 24.2 m -33.93 141.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.9 t -114.15 92.49 26.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 101.4 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.725 2.283 . . . . 0.0 112.312 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -53.44 112.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.56 142.73 16.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 109.01 2.19 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.0 t -163.12 119.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -142.37 153.72 44.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.504 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -111.44 116.83 31.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -159.82 159.1 32.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.89 -171.54 12.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.438 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -135.8 174.95 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.2 p -92.03 42.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.76 140.82 5.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.89 81.94 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.87 -50.97 13.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.463 HD13 ' HG2' ' A' ' 50' ' ' MET . 64.7 tp -44.74 -57.64 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.23 -52.08 62.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -50.02 -47.4 53.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.42 -62.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 10' ' ' LEU . 67.4 t -44.76 -45.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -64.14 -35.34 80.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -74.83 -61.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.412 HG21 ' HB2' ' A' ' 68' ' ' ALA . 79.0 mt -47.42 -38.5 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.417 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 54.5 p -71.87 -31.87 66.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -104.7 32.17 4.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 9.2 t0 -174.77 105.16 0.27 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.552 0.691 . . . . 0.0 110.832 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.7 Cg_endo -69.7 145.26 78.8 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.331 -0.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.21 22.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.619 2.213 . . . . 0.0 112.375 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.466 ' HB3' ' CD ' ' A' ' 28' ' ' LYS . 23.3 t -55.26 121.06 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' CYS . 45.1 mmtm -73.28 -46.23 51.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.7 m -36.58 152.16 0.1 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.665 0.745 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 1.82 4.08 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 m -134.93 89.6 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' CD ' ' HB3' ' A' ' 23' ' ' CYS . 20.1 tptp -50.5 139.26 16.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.63 158.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -92.12 107.44 19.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.7 t -133.17 107.05 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 4.9 tp10 -126.01 150.89 47.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 5.4 tmm_? -95.46 124.08 39.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.5 ' CD1' HD12 ' A' ' 45' ' ' ILE . 15.2 mt -108.58 -50.27 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' GLY . 2.0 m -147.36 172.34 14.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.418 ' H ' ' CD ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -58.99 78.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' SER . . . 125.64 -28.73 4.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -86.82 130.53 34.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.466 ' HB2' HD12 ' A' ' 48' ' ' ILE . 80.8 m-85 -146.02 145.11 30.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -81.67 120.53 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.7 t -125.0 108.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.1 48.87 70.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 60.79 36.28 19.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -143.43 136.67 27.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' A' ' 34' ' ' LEU . 45.6 mm -89.21 111.77 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.9 mt -122.59 136.83 54.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -82.17 104.59 12.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.472 HG12 HG12 ' A' ' 58' ' ' VAL . 97.0 mt -92.92 121.27 43.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.581 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 13.2 ptm180 -120.26 167.93 11.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.463 ' HG2' HD13 ' A' ' 10' ' ' LEU . 1.6 mmt -116.91 143.9 45.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 51' ' ' LEU . 15.2 mt -102.26 95.0 6.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.1 m170 61.19 25.48 15.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 24.6 t30 59.4 35.47 23.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.6 tttt -127.69 -40.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -122.09 149.08 44.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -108.6 108.62 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 mtt -107.83 165.78 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.547 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 3.6 m -134.5 166.55 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.515 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 9.4 tpt180 -106.42 117.73 34.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.464 HG21 ' OE2' ' A' ' 65' ' ' GLU . 31.3 m -146.29 142.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.29 95.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.452 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 60' ' ' VAL . . . 145.07 -36.39 1.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.445 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.53 -133.13 3.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.581 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 76.4 m95 -134.33 127.8 32.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.721 0.296 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.464 ' OE2' HG21 ' A' ' 60' ' ' VAL . 10.6 pt-20 -124.07 170.29 10.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 69' ' ' GLY . 49.7 p -74.48 115.59 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' THR . 26.9 t80 -35.17 -63.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 17' ' ' ILE . . . -47.59 -36.16 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -68.14 -40.6 88.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.7 t80 -70.41 -35.85 73.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 0.0 110.934 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.49 -51.8 57.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.66 -34.64 67.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -59.35 -61.05 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -64.62 -49.38 71.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.41 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 9.5 t0 -63.16 117.01 29.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.461 ' O ' HD12 ' A' ' 80' ' ' LEU . 15.4 p -54.42 -31.03 54.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 18' ' ' SER . 93.0 mtt-85 -71.23 -46.15 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.44 ' HE3' ' HA ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -40.49 -27.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 77' ' ' CYS . 37.9 mt -53.28 -45.45 68.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -47.18 150.58 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.582 ' H ' HD12 ' A' ' 82' ' ' ILE . 5.1 mp -69.78 127.44 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.1 m -76.67 128.8 35.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -137.16 164.0 29.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.6 m -143.96 165.54 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -90.2 -56.68 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 168.96 -152.36 19.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.441 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -132.32 96.19 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.4 m -149.92 118.5 6.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.7 m -45.45 134.23 5.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 134.48 28.1 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.632 2.221 . . . . 0.0 112.366 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 p -68.62 107.3 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.35 154.53 0.35 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 142.52 47.79 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 m -94.88 133.75 38.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.7 p -117.75 175.93 5.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.513 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -153.48 113.19 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 p -76.43 98.77 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.57 -44.8 70.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 m -127.07 153.02 46.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.381 . . . . 0.0 110.857 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m 57.97 44.01 20.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.07 -36.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -107.96 103.56 12.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.826 0.346 . . . . 0.0 110.847 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 53' ' ' ASN . 6.4 tp -97.71 -63.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.87 -62.22 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -42.06 -48.49 4.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.11 -43.08 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.94 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.457 HG13 ' CE2' ' A' ' 67' ' ' PHE . 88.2 t -41.81 -51.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -47.24 80.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 mtp85 -53.72 -46.77 70.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.9 mt -70.17 -46.48 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p -60.68 -25.58 66.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' O ' ' CA ' ' A' ' 22' ' ' PRO . 11.9 mm-40 -100.52 -21.35 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -134.56 114.46 12.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.562 0.696 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 140.45 60.53 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.382 0.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.406 ' CA ' ' O ' ' A' ' 19' ' ' GLU . 53.6 Cg_endo -69.79 130.75 19.85 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.1 t -54.42 120.39 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' CYS . 32.6 mmtp -67.39 -48.49 67.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LYS . 15.2 m -34.94 152.27 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.85 3.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.7 m -137.41 108.98 6.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.44 139.94 58.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CD2' HD11 ' A' ' 71' ' ' LEU . 3.8 t80 -49.62 173.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -97.75 109.49 22.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -138.94 107.14 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -131.42 128.85 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -74.63 128.48 35.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 mt -115.2 -45.43 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 t -154.27 170.75 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -58.43 94.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' ILE . . . 110.94 -28.11 10.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.53 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.457 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 15.5 ttp180 -90.16 137.49 32.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 61.1 m-85 -151.7 142.64 23.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -81.13 99.18 8.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.536 ' HB ' HD12 ' A' ' 46' ' ' LEU . 44.2 t -110.98 133.84 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' LYS . . . 39.95 70.49 0.35 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' GLY . 16.1 pt-20 37.55 28.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.923 0.392 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLY . 39.4 mttp -133.97 154.58 51.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.0 mm -105.77 105.27 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.536 HD12 ' HB ' ' A' ' 41' ' ' VAL . 6.1 mt -118.01 151.09 38.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -99.64 99.89 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.738 HG12 HG12 ' A' ' 58' ' ' VAL . 51.4 mt -83.15 133.23 29.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -126.01 169.05 13.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.0 ttt -127.72 120.24 27.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.461 HD12 ' HB2' ' A' ' 55' ' ' HIS . 21.2 mt -86.54 111.04 20.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 18.8 m-70 49.71 35.71 9.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 1.1 p-10 47.23 34.88 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -128.05 -34.41 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB2' HD12 ' A' ' 51' ' ' LEU . 20.2 m-70 -122.27 147.11 46.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.92 102.83 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.6 mmm -108.03 165.69 11.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.738 HG12 HG12 ' A' ' 48' ' ' ILE . 13.6 m -127.33 152.8 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.54 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 7.4 tpp180 -82.12 116.05 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.522 HG23 HG23 ' A' ' 58' ' ' VAL . 72.0 t -138.92 114.44 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 41.4 -119.76 1.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.432 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.82 42.15 2.0 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -175.52 133.98 2.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.54 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 40.6 m95 -94.16 133.91 37.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.724 0.297 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -118.47 167.57 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' GLY . 67.4 p -75.3 121.06 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.457 ' CE2' HG13 ' A' ' 14' ' ' VAL . 17.6 t80 -35.19 -67.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.43 -32.72 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -71.85 -36.44 61.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 3.3 t80 -75.82 -35.23 60.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 29' ' ' PHE . 11.6 tp -69.82 -41.91 74.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -63.89 -35.61 81.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -54.26 -53.69 50.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -76.18 -43.02 44.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.23 117.52 53.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.7 p -54.37 -29.2 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -78.02 -42.74 31.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.56 -47.61 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' H ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -109.21 50.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.497 ' HG3' HG22 ' A' ' 82' ' ' ILE . 25.6 pt20 -76.41 -44.48 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.497 HG22 ' HG3' ' A' ' 81' ' ' GLN . 1.3 tp -123.63 82.01 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.2 t -174.29 131.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -8.75 59.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.4 p -155.21 127.65 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -117.4 172.86 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.94 -53.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.2 tttp 49.16 42.88 22.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.0 m -101.38 113.54 26.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.4 p -140.68 140.21 21.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.648 0.737 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 92' ' ' SER . 53.9 Cg_endo -69.73 -12.13 32.31 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 91' ' ' PRO . 28.3 t -34.18 124.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -108.62 91.25 0.65 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 148.32 64.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.354 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.0 t -113.12 147.91 36.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 t -87.99 157.59 18.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.442 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p -172.23 126.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.89 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -83.38 42.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.1 -104.48 3.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -156.24 174.12 15.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.382 . . . . 0.0 110.843 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -119.13 -60.35 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.26 87.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -104.76 89.03 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.752 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -99.02 -6.76 27.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.617 HD11 HG22 ' A' ' 48' ' ' ILE . 5.9 tp -82.61 -36.2 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.6 -27.2 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.7 -52.9 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -62.52 -49.12 76.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.072 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 10' ' ' LEU . 92.1 t -58.42 -47.32 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -60.36 -44.76 95.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -66.31 -60.63 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.3 mt -49.43 -50.23 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.5 p -56.11 -36.12 67.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -105.77 31.46 5.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 10.7 t70 -174.52 105.03 0.27 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.76 145.7 80.14 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.324 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 132.05 22.43 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.1 t -54.23 114.04 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.6 mttt -71.45 -46.94 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' LYS . 4.4 m -36.75 154.82 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.8 2.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.8 t -131.79 141.7 49.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.18 143.84 26.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -65.59 162.43 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.27 106.86 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.8 t -139.25 107.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 6.6 tp10 -130.82 152.26 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 18.3 ttt85 -92.42 130.69 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' CD1' HD12 ' A' ' 45' ' ' ILE . 8.6 mt -115.14 -46.75 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.6 m -145.72 177.7 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -38.99 -58.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.5 43.31 1.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.516 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 12.1 ttm180 -136.91 136.83 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.894 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 39.0 m-85 -150.54 151.77 33.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -89.11 102.11 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.7 t -110.27 130.6 63.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' GLU . . . 40.41 71.42 0.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.504 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLY . 1.6 tm-20 36.56 37.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.958 0.409 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -144.85 150.35 36.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.436 HD12 ' CD1' ' A' ' 34' ' ' LEU . 50.5 mm -101.62 112.11 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 45' ' ' ILE . 24.1 mt -127.6 138.94 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -84.57 106.71 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.617 HG22 HD11 ' A' ' 10' ' ' LEU . 69.2 mt -95.66 120.43 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.439 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 35.2 mmm-85 -118.4 150.69 39.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.421 ' HE3' ' N ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -108.09 116.1 31.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.9 mt -74.61 108.68 7.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 46.89 31.6 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.8 t30 51.98 36.78 19.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 23.1 tttt -128.05 -41.49 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 1.6 m-70 -122.28 126.87 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.554 HG21 ' HB1' ' A' ' 13' ' ' ALA . 42.6 t -94.85 115.4 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.8 mmm -120.89 165.98 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.586 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 11.6 m -125.14 165.92 21.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -103.16 109.53 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 63' ' ' GLY . 26.1 m -119.7 39.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.89 65.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.6 -32.83 2.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.428 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.762 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -89.81 129.22 9.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.586 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 96.0 m95 -105.64 117.53 34.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.709 0.29 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -115.5 169.63 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -74.27 119.58 18.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -45.25 -49.28 12.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.79 -28.1 54.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.15 -47.62 17.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 2.6 t80 -65.9 -26.87 67.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.98 0.419 . . . . 0.0 110.969 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.0 tp -82.03 -38.37 25.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -71.5 -42.5 67.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.578 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.7 ptpt -54.61 -36.73 64.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 17.1 m80 -87.89 -50.64 6.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' HD2' ' A' ' 76' ' ' PRO . 12.2 t0 -63.18 117.11 30.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.409 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 54.3 Cg_endo -69.7 -34.53 14.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.26 . . . . 0.0 112.385 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.5 p -70.76 -19.78 62.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -87.38 -40.7 14.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mmm -49.71 -21.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.8 mt -80.6 42.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.427 ' C ' HG13 ' A' ' 82' ' ' ILE . 22.2 mt-30 -101.84 -39.87 7.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 83' ' ' SER . 95.7 mt -151.22 144.46 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 82' ' ' ILE . 89.5 p -32.78 122.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -60.43 126.54 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t -97.69 -45.19 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.43 172.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -96.67 -126.02 5.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.436 ' NZ ' ' HA ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -132.78 91.18 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.2 m -149.7 105.95 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.5 m -138.68 136.31 18.63 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.674 0.749 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.17 8.85 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.6 p -59.34 163.08 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.26 89.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 118.74 5.86 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.6 p -154.02 114.42 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.788 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 97' ' ' GLY . 68.2 p -123.74 -44.2 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 96' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 9' ' ' LEU . 5.8 mp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.859 0.361 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.0 tp -54.48 -53.92 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -56.37 -43.56 79.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.14 -48.85 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.03 -51.57 60.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 10' ' ' LEU . 59.7 t -53.06 -48.92 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -56.15 -49.52 73.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.19 -63.64 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.7 mt -43.49 -51.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.5 p -57.72 -36.41 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -102.69 31.46 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -172.49 104.99 0.34 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 145.47 79.47 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.332 0.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.48 17.68 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.655 2.236 . . . . 0.0 112.371 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.6 t -51.15 122.94 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' CYS . 44.8 mmtm -72.19 -47.41 50.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' LYS . 7.8 m -36.84 152.64 0.1 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 1.04 4.77 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.8 m -131.96 114.26 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -66.65 141.29 57.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -56.32 160.28 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.9 t -86.95 107.08 18.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.5 t -139.13 106.47 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.425 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 1.2 tm-20 -128.79 140.64 51.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.511 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 27.9 ttp180 -84.41 124.34 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.596 HD11 HD12 ' A' ' 45' ' ' ILE . 16.6 mt -105.61 -49.37 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 38' ' ' ARG . 1.6 t -165.47 153.52 11.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' SER . 17.3 mm-40 -34.72 109.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.86 26.53 49.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 15.8 ttt85 -144.77 124.36 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.352 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.511 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 48.3 m-85 -146.02 144.12 29.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -82.95 96.86 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.42 112.98 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.72 -107.95 1.99 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -124.25 25.8 7.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -143.77 158.44 43.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.596 HD12 HD11 ' A' ' 34' ' ' LEU . 47.2 mm -107.43 117.63 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.441 HD11 ' CZ ' ' A' ' 70' ' ' TYR . 38.0 mt -121.08 164.53 16.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.418 ' CZ ' ' NH1' ' A' ' 38' ' ' ARG . 83.6 m-85 -107.42 99.73 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.489 HG12 HG12 ' A' ' 58' ' ' VAL . 62.1 mt -83.66 120.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -114.33 167.7 10.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.8 ttt -128.85 120.24 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.468 HD12 ' HB2' ' A' ' 55' ' ' HIS . 14.8 mt -83.9 113.11 20.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 50.51 36.89 14.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 44.46 34.88 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -130.12 -35.71 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.468 ' HB2' HD12 ' A' ' 51' ' ' LEU . 9.0 m-70 -117.18 140.54 49.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.415 HG12 ' HB2' ' A' ' 67' ' ' PHE . 41.3 t -111.71 112.77 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.1 mmm -120.89 165.6 14.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.531 ' C ' ' CE3' ' A' ' 64' ' ' TRP . 3.4 m -127.22 156.78 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.588 ' HG2' ' CZ2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -93.42 112.36 24.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.861 HG22 ' O ' ' A' ' 63' ' ' GLY . 15.6 m -109.65 -176.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -89.6 51.79 3.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.4 36.69 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.861 ' O ' HG22 ' A' ' 60' ' ' VAL . . . 129.06 -162.83 22.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.588 ' CZ2' ' HG2' ' A' ' 59' ' ' ARG . 34.0 m95 -135.39 140.72 45.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.729 0.299 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -126.65 176.39 7.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 69' ' ' GLY . 65.8 p -79.11 121.71 25.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.132 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.451 ' CE2' HG13 ' A' ' 14' ' ' VAL . 31.4 t80 -41.52 -53.39 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.97 -29.35 65.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.712 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -78.44 -38.12 25.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.46 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.4 t80 -68.32 -32.57 72.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 0.0 110.939 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.9 tp -71.44 -49.7 38.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.712 HD23 ' HA2' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -53.67 -37.2 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.411 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 21.6 mtmt -53.6 -57.53 10.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -70.69 -55.28 9.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.36 116.18 13.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -46.73 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.8 p -57.73 -23.16 50.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -83.06 -42.86 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.05 -30.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.655 HD13 ' HB2' ' A' ' 50' ' ' MET . 15.0 tp -64.22 -49.79 70.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.54 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -46.61 -55.18 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.54 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 12.4 t0 -58.78 -44.8 90.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.4 -46.44 83.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.98 -44.0 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -59.97 -47.28 86.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -61.58 -64.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.1 mt -44.86 -49.66 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.409 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 61.0 p -59.15 -34.21 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -103.85 31.96 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 21.1 t0 -174.55 105.11 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.78 144.17 75.95 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.327 0.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.65 14.92 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 16.7 t -53.56 127.7 26.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -78.63 -40.96 32.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -44.55 152.63 0.51 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -1.35 8.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.8 m -134.9 95.87 3.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -54.27 165.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -71.57 168.12 18.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 t -100.56 110.89 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.9 t -136.92 109.78 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.59 143.88 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.554 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -91.15 119.4 31.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.494 HD11 HD12 ' A' ' 45' ' ' ILE . 44.2 mt -104.44 -50.46 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -143.48 171.94 13.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -38.91 -50.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.14 40.34 2.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 26.7 ttt180 -139.68 133.29 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.72 ' HB2' HD12 ' A' ' 48' ' ' ILE . 61.8 m-85 -150.24 159.09 44.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 ttm-85 -95.5 96.34 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -92.67 110.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.73 -110.74 3.61 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -123.94 26.25 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -144.76 155.71 43.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.494 HD12 HD11 ' A' ' 34' ' ' LEU . 27.6 mm -101.51 120.41 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 mt -125.51 155.77 40.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -93.84 100.3 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.755 HG12 HG12 ' A' ' 58' ' ' VAL . 48.4 mt -93.11 117.5 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.558 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 10.7 ptm180 -113.82 169.73 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.655 ' HB2' HD13 ' A' ' 10' ' ' LEU . 8.3 ttt -126.91 117.51 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mt -74.07 103.81 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 56.56 34.32 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 48.92 39.69 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -131.45 -37.9 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -119.84 136.69 54.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.412 HG12 ' HB2' ' A' ' 67' ' ' PHE . 95.3 t -104.55 103.21 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.2 mmm -110.83 165.96 11.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.755 HG12 HG12 ' A' ' 48' ' ' ILE . 14.5 m -126.53 165.51 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -100.5 111.86 24.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.47 ' O ' ' C ' ' A' ' 61' ' ' GLY . 34.4 m -142.38 123.86 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . 32.98 80.94 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . 33.66 46.9 0.43 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.65 157.03 27.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.558 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 98.8 m95 -123.36 122.8 39.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -123.54 170.42 10.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 69' ' ' GLY . 70.4 p -75.33 113.84 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' THR . 33.1 t80 -36.23 -48.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.6 78.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -57.81 -44.66 94.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.4 t80 -67.53 -37.8 83.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.958 0.409 . . . . 0.0 110.935 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 tp -64.14 -53.99 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.758 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -52.74 -39.64 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.411 ' N ' HD12 ' A' ' 72' ' ' LEU . 48.5 mttt -60.39 -63.54 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.35 -44.85 76.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.419 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.0 t0 -74.15 118.89 73.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.657 ' O ' HD12 ' A' ' 80' ' ' LEU . 13.8 p -54.51 -38.64 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.419 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 92.0 mtt-85 -60.85 -48.23 82.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.2 mtp -39.74 -36.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 77' ' ' CYS . 18.7 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.871 0.367 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' ' 14' ' ' VAL . 5.6 tp -56.97 -58.9 6.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 0.8 OUTLIER -49.11 -40.2 31.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.831 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -67.82 -41.68 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.37 -27.8 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 10' ' ' LEU . 93.3 t -76.18 -30.36 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -81.72 -40.72 22.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.527 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.3 OUTLIER -63.08 -51.91 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.527 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 92.0 mt -58.06 -37.46 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.429 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 73.9 p -76.13 -21.73 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.43 26.19 10.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 5.7 t0 -173.06 105.0 0.32 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.78 145.77 80.39 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.324 0.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.26 15.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -48.75 103.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -62.7 -37.67 87.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 m -47.69 153.01 1.14 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 3.67 2.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.378 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.6 m -129.82 90.81 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HE3' ' N ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -56.12 113.58 1.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.515 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 2.4 t80 -35.52 153.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.6 t -87.67 108.36 19.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -138.11 105.91 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -134.92 142.77 46.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.557 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 35.7 ttp180 -90.39 128.79 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' A' ' 45' ' ' ILE . 27.9 mt -103.58 -46.93 4.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.06 168.12 28.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -55.12 91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.44 34.88 3.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.525 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.463 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 16.3 ttp180 -159.28 127.23 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 15.4 m-85 -144.03 150.66 38.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -87.11 112.67 22.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.1 t -116.1 105.35 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.05 56.84 22.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 56.82 38.97 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -143.38 152.28 41.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.438 HD12 ' CD1' ' A' ' 34' ' ' LEU . 49.8 mm -107.24 104.78 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.7 mt -113.7 150.4 33.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -99.17 102.23 13.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.791 HG12 HG12 ' A' ' 58' ' ' VAL . 62.1 mt -93.24 124.0 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -111.9 172.61 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.522 ' HB2' HD13 ' A' ' 10' ' ' LEU . 2.8 ttt -129.71 109.12 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.3 mt -70.92 115.21 9.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 47.96 30.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 53.17 35.37 19.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -128.09 -42.23 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -114.39 145.69 41.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.18 106.64 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.8 mmm -112.37 165.92 11.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.791 HG12 HG12 ' A' ' 48' ' ' ILE . 3.2 m -126.35 160.59 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.58 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 11.8 tpt180 -99.53 110.29 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 60' ' ' VAL . 15.4 m -122.68 81.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.58 -94.52 0.75 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.556 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -129.05 45.05 1.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.2 154.24 24.01 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.462 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 90.5 m95 -117.34 128.04 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -125.29 170.49 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.9 p -74.89 117.12 16.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -38.86 -60.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.86 -53.77 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.98 -49.94 28.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.2 t80 -59.47 -23.89 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.925 0.393 . . . . 0.0 110.921 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.05 -33.58 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.563 HD22 ' HB3' ' A' ' 78' ' ' ARG . 3.8 mt -71.5 -51.96 20.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.402 ' CD ' ' HA ' ' A' ' 70' ' ' TYR . 15.9 ptmt -47.5 -42.67 23.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -82.99 -50.21 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.427 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.8 t0 -76.15 119.27 76.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.722 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -51.03 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.426 ' HA ' HD12 ' A' ' 80' ' ' LEU . 11.3 p -55.72 -20.57 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.563 ' HB3' HD22 ' A' ' 72' ' ' LEU . 55.3 mtt-85 -84.3 -49.8 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.2 mmt -54.35 -32.41 56.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 77' ' ' CYS . 19.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 36' ' ' GLN . 26.5 tp -42.17 -59.22 1.85 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -49.99 -56.3 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -40.76 -44.57 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.82 -60.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.554 HG13 ' CE2' ' A' ' 67' ' ' PHE . 58.5 t -46.78 -26.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.19 -42.33 19.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.535 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 3.4 ptm180 -67.89 -50.29 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.535 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 26.0 mt -55.01 -39.4 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.442 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 40.5 p -68.19 -29.37 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -106.59 31.38 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 5.5 t70 -174.95 104.98 0.26 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.9 Cg_endo -69.76 144.81 77.68 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.341 0.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.72 18.09 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.281 . . . . 0.0 112.291 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 t -56.0 115.13 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.7 mmtp -67.89 -47.61 68.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.4 m -37.8 152.66 0.14 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.33 3.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.8 m -141.45 111.29 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -71.06 154.57 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -60.63 162.23 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -86.39 107.21 17.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -133.83 114.73 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -131.65 143.47 50.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.448 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 40.0 ttp180 -77.93 109.83 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' HB2' ' C ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -87.75 -47.59 8.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -167.32 178.59 5.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.456 ' O ' HD23 ' A' ' 10' ' ' LEU . 15.6 pt20 -39.69 -45.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.97 36.86 2.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.599 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 5.9 ttp180 -137.63 145.05 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 38' ' ' ARG . 88.6 m-85 -161.67 133.72 5.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -79.07 118.55 21.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.9 t -125.63 121.88 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.08 46.09 42.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 63.24 38.11 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -141.66 152.15 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mm -107.95 99.93 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.5 mt -112.89 148.62 34.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -96.14 101.51 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.775 HG12 HG12 ' A' ' 58' ' ' VAL . 65.2 mt -84.45 122.54 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.4 mtp-105 -119.12 151.61 37.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.0 ttt -116.27 121.6 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 mt -84.67 109.48 18.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.432 ' C ' ' CG ' ' A' ' 53' ' ' ASN . 39.9 m-70 53.08 35.56 19.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' CG ' ' C ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER 46.88 30.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -120.46 -33.96 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -120.28 149.73 41.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.1 t -121.45 96.84 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.468 ' SD ' HG22 ' A' ' 66' ' ' THR . 14.5 mmm -105.94 164.74 11.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.775 HG12 HG12 ' A' ' 48' ' ' ILE . 16.1 m -128.16 154.25 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.56 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 6.9 tmm_? -87.11 100.56 12.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.767 HG23 HG23 ' A' ' 58' ' ' VAL . 98.5 t -118.15 118.55 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -30.95 108.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.12 -22.29 8.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.517 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 168.36 -150.61 16.54 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 52.1 m95 -137.54 128.81 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.296 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.72 173.19 6.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.468 HG22 ' SD ' ' A' ' 57' ' ' MET . 69.8 p -80.63 119.6 23.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE2' HG13 ' A' ' 14' ' ' VAL . 28.5 t80 -40.86 -50.95 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.88 -32.0 69.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -76.23 -35.97 41.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.4 t80 -71.71 -33.18 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.942 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.0 tp -71.09 -53.7 13.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.754 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.69 -35.76 68.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -54.72 -50.78 67.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -76.94 -48.23 18.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.429 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.4 t0 -65.67 118.17 48.68 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.39 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.378 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.415 ' O ' HD12 ' A' ' 80' ' ' LEU . 12.6 p -55.03 -35.15 64.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 18' ' ' SER . 68.9 mtt-85 -63.31 -46.41 86.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 80' ' ' LEU . 9.6 mmt -40.86 -36.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 79' ' ' MET . 15.3 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.838 0.351 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' A' ' 50' ' ' MET . 53.8 tp -45.69 -56.51 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -52.32 -53.47 43.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -46.37 -43.04 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.5 -66.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.614 HG13 ' CE2' ' A' ' 67' ' ' PHE . 94.4 t -41.23 -51.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -59.27 -47.49 85.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 -60.73 -35.12 75.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.0 mt -70.47 -48.78 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.3 p -60.43 -35.5 75.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -88.58 -24.8 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 1.2 m-20 -135.98 114.34 10.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HG2' ' NH1' ' A' ' 78' ' ' ARG . 54.2 Cg_endo -69.79 141.48 66.08 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.342 0.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.18 27.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.12 114.73 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' CYS . 1.7 mptt -69.47 -48.9 59.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 3.9 m -37.84 153.3 0.13 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.875 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 3.29 2.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.3 m -125.41 86.55 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 tppp? -54.94 132.88 47.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.61 144.89 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.97 109.33 20.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.1 t -136.42 105.79 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -135.2 156.24 49.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.578 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 14.6 ttm180 -82.0 134.7 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.488 HD13 HD12 ' A' ' 45' ' ' ILE . 13.2 mt -118.15 -47.0 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -141.44 173.42 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -39.45 -50.73 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.63 39.03 2.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.59 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 22.3 ttp180 -133.87 141.0 47.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 19.9 m-85 -150.94 144.07 24.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.458 HH21 HD11 ' A' ' 45' ' ' ILE . 13.4 ttm180 -79.99 120.66 24.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.3 t -121.51 88.71 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 61.98 78.33 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 16.9 pt-20 43.85 33.26 0.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 110.954 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.42 145.88 37.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.488 HD12 HD13 ' A' ' 34' ' ' LEU . 51.6 mm -110.16 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.7 mt -111.5 158.24 19.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.08 98.07 8.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.584 HD12 ' HB2' ' A' ' 39' ' ' TYR . 66.3 mt -90.26 128.33 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.409 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 3.1 mmp_? -119.11 172.84 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.515 ' HB2' HD13 ' A' ' 10' ' ' LEU . 7.7 ttt -134.47 117.91 16.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 mt -84.61 112.83 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 48.04 38.42 9.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 44.1 37.74 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -131.66 -33.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -120.98 142.33 49.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.8 t -116.84 103.08 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mtt -109.27 163.22 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.483 HG12 HG12 ' A' ' 48' ' ' ILE . 2.8 m -129.33 157.99 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.534 ' HD3' ' CE2' ' A' ' 64' ' ' TRP . 10.6 tpt180 -97.94 102.44 14.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 63' ' ' GLY . 15.3 m -87.52 -25.17 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.05 -41.23 1.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.417 ' H ' HG23 ' A' ' 60' ' ' VAL . . . -126.6 35.72 2.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.65 ' O ' HG22 ' A' ' 60' ' ' VAL . . . 147.48 145.77 4.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.534 ' CE2' ' HD3' ' A' ' 59' ' ' ARG . 61.1 m95 -92.66 118.69 31.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.727 0.299 . . . . 0.0 110.938 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.633 ' OE2' HG11 ' A' ' 60' ' ' VAL . 10.7 pt-20 -110.42 166.48 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 69' ' ' GLY . 32.2 p -74.57 121.6 21.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.189 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.614 ' CE2' HG13 ' A' ' 14' ' ' VAL . 22.8 t80 -38.64 -54.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.77 -38.28 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -65.44 -45.81 88.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.505 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 1.9 t80 -67.61 -35.88 79.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.898 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.3 tp -72.63 -51.99 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 72' ' ' LEU . 1.2 pp -61.81 -38.72 89.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.423 ' N ' HD12 ' A' ' 72' ' ' LEU . 31.9 mttt -53.0 -50.62 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -77.25 -43.03 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -69.9 116.4 43.49 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -43.8 2.52 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.716 2.278 . . . . 0.0 112.369 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.8 p -60.42 -28.4 68.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' NH1' ' HG2' ' A' ' 21' ' ' PRO . 95.1 mtt-85 -75.99 -50.36 15.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.4 mmm -48.68 -27.4 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.6 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 53' ' ' ASN . 9.3 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.539 HD11 HG22 ' A' ' 48' ' ' ILE . 9.9 tp -55.98 -56.93 14.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -39.28 -58.62 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -42.64 -43.91 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.561 ' HB1' ' CG2' ' A' ' 56' ' ' VAL . . . -67.39 -70.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.61 HG13 ' CE2' ' A' ' 67' ' ' PHE . 63.8 t -41.32 -50.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -58.7 -49.9 75.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -57.55 -39.84 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.3 mt -70.0 -47.4 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.5 p -60.48 -33.99 73.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -90.1 -24.08 21.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -136.63 112.99 9.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.637 0.732 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HG2' ' NH1' ' A' ' 78' ' ' ARG . 54.0 Cg_endo -69.74 142.08 68.55 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.337 -0.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.86 31.66 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.92 115.39 4.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' CYS . 27.2 mmtp -63.99 -49.75 71.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.3 m -37.2 147.6 0.22 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.03 3.04 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.264 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.9 m -131.57 108.12 9.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.04 136.43 56.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -52.33 164.15 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -92.24 110.41 21.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.5 t -138.89 105.8 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -137.2 132.49 33.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -69.97 137.01 51.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.575 HD11 HD12 ' A' ' 45' ' ' ILE . 18.4 mt -113.02 -46.46 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -154.12 177.06 11.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -56.87 98.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.2 34.26 9.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.442 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 40.3 ttp180 -147.06 131.4 17.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 15.2 m-85 -141.74 149.72 40.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -87.31 107.77 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.2 t -101.77 110.22 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.33 -106.56 0.96 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -123.89 29.26 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.841 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -144.86 153.19 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.575 HD12 HD11 ' A' ' 34' ' ' LEU . 46.1 mm -104.43 122.93 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 mt -134.23 158.46 43.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.423 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 72.6 m-85 -101.44 106.79 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.72 HG12 HG12 ' A' ' 58' ' ' VAL . 69.5 mt -95.39 129.53 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.547 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 74.6 mtt-85 -126.47 145.94 50.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.463 ' CE ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -106.43 125.22 50.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.467 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 5.3 mp -89.85 107.09 18.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 49.88 35.23 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.547 ' HB2' HD11 ' A' ' 9' ' ' LEU . 13.3 t-20 46.44 37.6 4.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 40.8 tttp -129.1 -38.28 1.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -124.16 122.61 38.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 67' ' ' PHE . 91.6 t -97.87 108.49 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.467 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 5.2 mtp -114.69 166.5 11.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.72 HG12 HG12 ' A' ' 48' ' ' ILE . 6.4 m -132.9 160.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 9.4 tpt180 -95.18 106.26 18.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 60' ' ' VAL . 18.4 m -111.47 78.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.21 -51.05 3.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.95 -33.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.48 -177.84 51.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.581 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 93.9 m95 -136.84 113.45 10.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -112.37 169.86 8.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' GLY . 70.1 p -74.57 118.5 17.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.612 ' HB2' HG12 ' A' ' 56' ' ' VAL . 21.2 t80 -38.06 -53.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.06 -37.37 64.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.601 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -64.62 -41.18 97.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.4 t80 -71.82 -34.47 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.928 0.394 . . . . 0.0 110.94 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -70.77 -36.25 72.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.67 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -63.34 -43.57 97.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 6.3 mtpm? -47.61 -53.31 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -76.85 -50.45 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.418 ' OD2' ' NE ' ' A' ' 78' ' ' ARG . 9.4 t0 -61.22 116.95 22.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.248 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.7 p -55.77 -27.41 50.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 80' ' ' LEU . 95.4 mtt-85 -80.17 -41.38 25.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 14.8 mtt -39.98 -25.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 78' ' ' ARG . 20.7 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.864 0.364 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 50' ' ' MET . 11.6 tp -42.97 -45.13 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -53.18 -55.27 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -46.3 -49.14 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.7 -61.5 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 10' ' ' LEU . 78.9 t -44.76 -47.8 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -57.76 -48.09 80.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 19' ' ' GLU . 87.7 mtm180 -62.12 -63.07 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.1 mt -43.3 -44.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.2 p -67.52 -31.52 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ARG . 12.4 mt-10 -105.76 25.04 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 4.8 t70 -169.95 104.99 0.45 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.84 146.25 81.83 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.3 0.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 129.58 17.78 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.8 t -54.11 113.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.5 mmtp -61.27 -49.52 76.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' LYS . 8.8 m -36.72 152.07 0.11 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 0.92 4.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.312 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.5 m -140.78 108.7 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.39 167.47 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -72.49 174.29 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.13 107.18 19.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.8 t -137.84 107.5 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.12 122.4 28.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 39' ' ' TYR . 10.9 ttm180 -69.48 111.43 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 40' ' ' ARG . 3.9 mp -85.54 -45.0 12.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m -171.1 -178.02 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -44.23 115.69 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.56 42.75 99.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -147.37 124.35 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 34.0 m-85 -143.37 133.57 24.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.406 ' N ' HD11 ' A' ' 34' ' ' LEU . 30.5 ttm180 -78.33 96.67 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -93.19 116.58 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.88 -109.06 2.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -125.66 26.34 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -143.51 163.51 32.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 mm -109.22 119.76 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.4 mt -124.04 153.36 41.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -98.33 106.41 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.81 HG12 HG12 ' A' ' 58' ' ' VAL . 83.5 mt -93.16 113.88 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -110.89 151.95 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.451 ' HB2' HD13 ' A' ' 10' ' ' LEU . 8.9 ttt -113.24 123.44 50.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 55' ' ' HIS . 20.3 mt -76.65 111.0 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.2 m170 50.05 27.13 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 58.16 33.01 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.519 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 29.0 tttp -122.32 -41.01 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.519 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 5.3 m-70 -119.36 139.97 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.424 HG12 ' HB2' ' A' ' 67' ' ' PHE . 91.4 t -105.28 112.23 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.4 mtp -122.02 165.99 15.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.81 HG12 HG12 ' A' ' 48' ' ' ILE . 3.3 m -128.63 157.06 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -96.63 103.66 15.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.8 HG11 ' OE2' ' A' ' 65' ' ' GLU . 32.9 m -114.4 39.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 62' ' ' GLY . . . 67.17 -83.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.478 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . -37.2 -44.71 1.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 179.79 -150.72 9.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.515 ' CE3' ' C ' ' A' ' 58' ' ' VAL . 85.7 m95 -112.97 136.06 53.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.8 ' OE2' HG11 ' A' ' 60' ' ' VAL . 14.1 pt-20 -132.46 167.26 20.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' GLY . 60.0 p -74.45 117.29 16.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.429 ' CE2' HG13 ' A' ' 14' ' ' VAL . 26.3 t80 -39.75 -57.33 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.74 -32.43 30.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -69.64 -52.3 21.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.425 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.508 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.0 t80 -59.07 -26.83 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.68 -48.34 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.754 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.07 -40.76 74.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.426 ' N ' HD12 ' A' ' 72' ' ' LEU . 21.5 mtpp -48.44 -55.46 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -74.04 -51.83 14.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.421 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 8.8 t0 -60.13 117.62 25.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.45 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.394 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.1 p -54.53 -31.14 55.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' LEU . 87.0 mtt-85 -74.61 -47.99 29.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.94 -24.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 78' ' ' ARG . 29.0 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.8 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.86 0.362 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.4 tp -48.03 -46.21 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 12' ' ' ASP . 15.5 t0 -53.3 -66.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 11' ' ' ASP . 6.3 t70 -34.42 -42.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.07 -59.14 3.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.674 HG13 ' CE2' ' A' ' 67' ' ' PHE . 85.2 t -51.11 -48.37 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -60.97 -47.42 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -59.73 -59.49 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.4 mt -48.63 -45.24 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.2 p -64.43 -33.79 76.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -102.38 27.72 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.3 m-20 -171.52 105.04 0.38 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.5 Cg_endo -69.73 146.22 81.5 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.328 -0.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 129.93 18.38 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.8 t -50.43 119.35 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -70.52 -44.2 68.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -43.07 153.71 0.33 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.83 2.52 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.4 m -138.46 122.2 17.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 29' ' ' PHE . 10.3 tptm -77.19 151.0 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.443 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 3.3 t80 -61.77 178.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -105.2 107.18 18.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.6 t -138.12 109.87 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -136.33 119.17 16.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 33.8 ttp180 -66.87 119.4 11.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.53 HD13 ' HG2' ' A' ' 38' ' ' ARG . 3.5 mp -96.69 -42.39 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.4 m -142.36 178.4 7.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -44.43 -48.51 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.24 45.16 1.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.53 ' HG2' HD13 ' A' ' 34' ' ' LEU . 17.8 ttp180 -142.27 134.87 28.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 33' ' ' ARG . 40.9 m-85 -145.54 134.82 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -78.59 95.22 5.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' LYS . 86.7 t -100.61 136.93 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 35.16 63.17 0.55 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 14.6 pt-20 44.86 37.32 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.382 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.7 mttp -142.3 150.72 41.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.7 mm -101.44 106.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.2 mt -119.66 141.59 49.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -90.2 102.8 15.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.785 HG12 HG12 ' A' ' 58' ' ' VAL . 89.3 mt -90.82 130.69 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -121.02 172.85 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.3 ttt -129.17 107.38 9.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.6 mt -70.66 112.87 7.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.443 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 14.8 m170 49.16 34.92 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 4.8 p-10 47.25 35.41 3.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' CE ' ' HB3' ' A' ' 52' ' ' HIS . 30.0 mtmt -128.15 -38.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -116.27 149.0 39.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -117.58 100.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.5 mmm -108.89 165.79 11.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.785 HG12 HG12 ' A' ' 48' ' ' ILE . 4.7 m -122.77 164.3 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.55 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -108.26 107.87 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 61' ' ' GLY . 10.2 m -107.05 -176.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -35.06 -54.46 0.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.449 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -152.28 86.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.38 176.77 14.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.512 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.55 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 61.7 m95 -133.44 126.11 30.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -120.42 171.55 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' GLY . 49.6 p -75.5 117.1 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.674 ' CE2' HG13 ' A' ' 14' ' ' VAL . 26.3 t80 -37.24 -44.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.82 92.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.821 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -61.08 -40.78 99.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.548 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 4.2 t80 -66.07 -34.27 77.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.892 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 tp -70.3 -45.93 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.821 HD23 ' HA2' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -55.48 -39.69 70.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.471 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 70.4 mttt -54.62 -59.12 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -65.64 -50.18 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.431 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 7.6 t0 -70.48 118.64 66.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.724 2.283 . . . . 0.0 112.318 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.8 p -55.47 -21.91 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.431 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 87.0 mtt-85 -78.8 -34.32 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.7 mmt -50.57 -17.71 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 36' ' ' GLN . 15.6 tp -81.42 -44.18 17.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -52.92 -46.27 67.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -46.81 -47.8 20.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.44 -52.29 58.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.539 HG13 ' CE2' ' A' ' 67' ' ' PHE . 98.0 t -51.96 -49.73 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -67.26 -45.2 77.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 6.9 mtp-105 -57.81 -40.01 78.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.5 mt -69.45 -50.11 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.3 p -61.13 -33.27 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -87.2 -27.51 22.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -134.53 114.92 12.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 140.94 63.54 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.351 0.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 128.27 15.73 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.8 t -57.42 115.38 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' CYS . 30.7 mmtp -62.81 -50.37 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.5 m -36.56 152.49 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.08 6.17 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.306 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.0 m -142.83 105.92 4.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -62.28 160.54 12.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.93 166.17 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 40' ' ' ARG . 3.3 t -84.24 110.04 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 91.3 t -135.35 105.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -126.0 120.73 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.531 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 27.4 ttm180 -64.08 126.88 29.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.7 mt -112.1 -45.86 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.2 m -154.96 175.67 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.569 ' O ' HD23 ' A' ' 10' ' ' LEU . 21.3 pt20 -40.3 -51.91 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.35 41.86 1.81 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.515 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 6.8 ttt180 -144.61 135.02 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 30.2 m-85 -149.54 159.72 44.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 25.5 ttt180 -87.99 111.77 21.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.5 t -115.54 127.03 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.72 53.88 2.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 55.99 37.88 29.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -142.43 147.2 35.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.1 mm -97.7 101.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.667 HD22 HG12 ' A' ' 60' ' ' VAL . 25.2 mt -117.66 141.51 48.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -84.14 120.7 26.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.783 HG12 HG12 ' A' ' 58' ' ' VAL . 78.4 mt -107.71 117.54 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -109.08 172.45 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.485 ' HB2' HD13 ' A' ' 10' ' ' LEU . 7.0 ttt -128.06 121.02 28.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 mt -79.43 107.35 12.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 51.21 32.72 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m120 53.28 35.48 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.558 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 22.5 tttp -125.06 -41.94 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.558 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 2.8 m-70 -121.71 150.19 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.5 t -115.93 111.96 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.9 mmm -112.32 165.11 12.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.783 HG12 HG12 ' A' ' 48' ' ' ILE . 4.6 m -125.9 151.87 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.557 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -95.91 106.39 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.667 HG12 HD22 ' A' ' 46' ' ' LEU . 26.1 m -141.95 132.96 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 62' ' ' GLY . . . 33.57 78.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . 30.11 41.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.561 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . -151.46 135.51 5.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.427 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 85.8 m95 -110.88 122.3 47.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -125.83 172.87 9.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 69' ' ' GLY . 71.9 p -74.82 118.49 17.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CE2' HG13 ' A' ' 14' ' ' VAL . 23.5 t80 -36.65 -56.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.66 62.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -66.14 -34.73 89.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.494 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 8.5 t80 -78.95 -24.01 44.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 tp -84.44 -42.75 15.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.71 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -69.49 -41.6 75.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' N ' HD12 ' A' ' 72' ' ' LEU . 12.4 ptmt -59.88 -37.36 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -80.15 -48.7 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 2.2 t70 -72.1 129.76 87.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -55.57 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.305 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.4 p -52.96 -27.25 18.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.446 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 84.2 mtt-85 -75.19 -42.84 54.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.494 ' HA ' ' HE3' ' A' ' 79' ' ' MET . 0.0 OUTLIER -46.28 -27.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.88 0.371 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.665 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.7 tp -55.36 -60.08 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -39.3 -54.44 1.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -56.64 -53.0 62.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -23.26 63.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' LEU . 98.6 t -81.4 -32.33 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.187 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -79.88 -40.94 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.524 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 11.4 ptm180 -55.75 -47.33 77.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.524 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 60.7 mt -61.51 -47.02 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.0 p -64.13 -25.25 68.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -107.15 26.05 10.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.447 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 33.5 t70 -174.9 105.01 0.26 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.4 Cg_endo -69.76 146.55 82.51 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.314 -0.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 128.96 16.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.4 ' HB3' ' HZ2' ' A' ' 28' ' ' LYS . 39.4 t -51.56 109.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -61.28 -43.99 97.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -42.36 152.95 0.32 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.67 2.65 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.329 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.1 m -143.61 110.68 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HZ2' ' HB3' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -64.96 153.71 39.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -60.38 171.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 t -100.05 108.66 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.0 t -134.09 106.21 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -122.66 141.48 51.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.411 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 58.7 ttt-85 -88.77 126.7 35.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.723 HD11 HD12 ' A' ' 45' ' ' ILE . 19.7 mt -103.59 -48.88 3.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.7 m -164.7 -179.76 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -58.05 95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.44 39.31 4.78 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.613 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.4 tpt180 -159.14 129.82 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.823 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 18.1 m-85 -151.83 151.39 31.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 43' ' ' GLU . 15.2 ttt85 -89.91 104.44 17.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.43 HG11 ' CE1' ' A' ' 70' ' ' TYR . 96.9 t -103.25 110.22 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.8 55.47 27.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 40' ' ' ARG . 39.7 mt-10 56.98 36.84 28.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 110.868 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -143.5 143.28 31.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.723 HD12 HD11 ' A' ' 34' ' ' LEU . 38.3 mm -97.88 103.91 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.414 HD11 ' CZ ' ' A' ' 70' ' ' TYR . 33.9 mt -118.63 137.01 53.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -77.87 121.95 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.771 HG12 HG12 ' A' ' 58' ' ' VAL . 76.0 mt -113.62 123.09 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 6.3 ptm85 -114.92 172.67 6.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.428 ' HB2' HD13 ' A' ' 10' ' ' LEU . 6.3 ttt -131.14 124.54 30.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -88.92 110.07 20.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 53.13 33.51 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 48.96 37.49 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -130.2 -38.93 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -118.02 143.01 46.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.2 t -114.24 100.57 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.4 mtt -102.24 165.82 10.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.771 HG12 HG12 ' A' ' 48' ' ' ILE . 14.2 m -127.96 162.1 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 12.3 tpt180 -105.0 104.31 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.44 HG13 HG23 ' A' ' 58' ' ' VAL . 30.1 m -122.7 158.58 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.52 100.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.31 -40.79 1.51 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.61 -159.41 32.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 73.7 m95 -105.98 142.02 36.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.691 0.281 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -137.63 170.41 16.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 69' ' ' GLY . 59.7 p -75.76 121.21 22.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.438 ' CE2' HG13 ' A' ' 14' ' ' VAL . 28.4 t80 -41.63 -48.57 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.25 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -69.41 -47.09 53.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 1.7 t80 -62.57 -33.87 75.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.929 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 tp -69.79 -47.2 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.788 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -62.06 -38.17 87.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -53.75 -52.64 59.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -74.68 -52.16 12.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.423 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 8.6 t0 -61.54 117.43 27.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.712 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -47.75 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.344 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.7 p -57.22 -35.61 69.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 80.4 mtt-85 -64.04 -46.68 83.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 mmt -39.86 -29.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.4 mm? . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.862 0.363 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.3 tp -42.44 -68.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -41.42 -63.47 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.4 -58.06 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.02 -56.97 7.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.683 HG13 ' CE2' ' A' ' 67' ' ' PHE . 86.9 t -46.64 -38.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -67.94 -46.24 72.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -47.27 -58.92 3.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.517 HG21 ' HB2' ' A' ' 68' ' ' ALA . 18.4 mt -54.39 -44.39 66.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 p -65.17 -25.58 67.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -110.4 25.66 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -175.15 104.99 0.26 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 110.86 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.7 Cg_endo -69.79 146.59 82.69 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.65 16.35 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.625 2.217 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.2 t -50.72 111.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.4 mmtm -58.86 -51.98 67.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.4 m -36.41 153.13 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -0.21 6.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.1 t -128.79 139.37 52.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.91 151.24 21.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.73 169.56 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' O ' ' A' ' 40' ' ' ARG . 1.8 t -95.21 109.29 21.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.8 t -139.18 106.12 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -138.35 136.85 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -77.28 122.37 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.696 HD11 HD12 ' A' ' 45' ' ' ILE . 11.4 mt -96.97 -49.0 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.6 m -158.92 178.24 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -50.04 111.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.12 38.35 73.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -147.29 126.32 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -140.01 144.93 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 30' ' ' CYS . 18.5 ttp180 -83.23 102.83 12.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.2 t -99.82 115.97 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.31 -114.16 5.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -119.18 28.27 8.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -144.58 161.05 40.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.696 HD12 HD11 ' A' ' 34' ' ' LEU . 48.3 mm -107.71 126.56 64.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.4 mt -133.35 166.09 23.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -109.66 99.46 8.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.837 HG12 HG12 ' A' ' 58' ' ' VAL . 88.6 mt -89.47 129.19 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -129.93 167.14 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.8 ttt -117.03 95.9 5.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.841 HD21 ' HG3' ' A' ' 57' ' ' MET . 0.1 OUTLIER -67.83 117.08 9.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 60.39 27.86 17.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.5 m120 41.97 29.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -127.06 -33.46 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.483 ' HB2' ' CD1' ' A' ' 51' ' ' LEU . 98.4 m-70 -121.51 135.89 54.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.6 t -104.74 103.72 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.841 ' HG3' HD21 ' A' ' 51' ' ' LEU . 5.5 mtt -111.13 165.89 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.837 HG12 HG12 ' A' ' 48' ' ' ILE . 4.0 m -123.01 162.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.564 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -103.83 101.89 11.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 60' ' ' VAL . 4.4 m -101.92 40.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.43 -80.11 1.45 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.0 60.66 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.9 165.35 13.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.534 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.592 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 62.9 m95 -135.99 121.96 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.51 ' OE2' HG11 ' A' ' 60' ' ' VAL . 10.7 pt-20 -118.6 171.08 8.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 69' ' ' GLY . 43.6 p -75.37 120.41 20.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.683 ' CE2' HG13 ' A' ' 14' ' ' VAL . 40.2 t80 -38.12 -46.9 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' A' ' 17' ' ' ILE . . . -60.04 -37.97 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.507 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -68.79 -35.8 80.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.9 t80 -72.15 -35.93 69.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 0.0 110.945 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.16 -50.14 43.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.625 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.31 -39.12 72.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -51.16 -54.31 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -72.67 -53.94 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.425 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.5 t0 -57.17 118.21 22.9 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -47.5 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.0 p -57.72 -35.64 70.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.425 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 68.3 mtt-85 -66.42 -42.67 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.6 mtt -40.42 -29.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.87 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' LEU . 9.0 mp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.6 tp -37.13 -61.31 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.509 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -41.92 -53.42 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.509 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 7.1 t70 -53.65 -49.38 68.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HA ' ' CD ' ' A' ' 16' ' ' ARG . . . -66.42 -22.23 66.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 10' ' ' LEU . 99.1 t -82.96 -35.38 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -76.06 -38.1 57.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.496 ' CD ' ' HA ' ' A' ' 13' ' ' ALA . 25.8 ptt180 -56.74 -47.67 79.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.483 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 61.0 mt -61.81 -50.04 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 11.0 p -59.72 -31.95 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.39 -25.11 22.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 1.2 t70 -136.08 114.12 10.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.8 140.54 61.29 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.349 0.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 132.81 24.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 15.7 t -58.64 116.04 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 25' ' ' CYS . 41.9 mmtm -65.66 -50.16 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.4 m -35.05 152.65 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.98 3.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.6 m -137.46 127.84 26.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.06 152.27 27.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -64.28 168.9 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.48 107.38 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.1 t -137.42 105.72 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -125.18 148.46 48.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -86.3 121.29 28.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.553 HD13 HD12 ' A' ' 45' ' ' ILE . 19.0 mt -104.34 -47.58 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -148.76 176.36 10.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -41.19 -50.47 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.02 40.31 2.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.48 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 8.7 ttm180 -138.48 136.13 35.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 35.7 m-85 -148.21 149.66 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -89.17 103.9 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -109.34 125.75 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.19 52.78 6.94 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 56.52 41.32 28.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -143.87 151.72 40.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.553 HD12 HD13 ' A' ' 34' ' ' LEU . 27.3 mm -104.76 106.43 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 mt -123.63 152.79 41.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -100.17 103.09 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.756 HG12 HG12 ' A' ' 58' ' ' VAL . 52.6 mt -91.41 133.75 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.165 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.561 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 11.7 ptp180 -124.38 153.12 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.498 ' HE1' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -116.42 117.52 30.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -92.23 127.39 37.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.454 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 11.2 m-70 47.08 29.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 3.2 p-10 46.8 33.13 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 2.4 ptmm? -135.03 -38.38 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.788 ' HB2' HD12 ' A' ' 51' ' ' LEU . 33.6 m-70 -103.23 124.62 48.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.498 HG23 ' HE1' ' A' ' 50' ' ' MET . 93.2 t -107.79 99.64 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.42 ' SD ' HG22 ' A' ' 66' ' ' THR . 7.4 mmm -110.88 166.22 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.756 HG12 HG12 ' A' ' 48' ' ' ILE . 8.8 m -127.51 151.94 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.526 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 3.2 tmm_? -92.89 115.56 28.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 60' ' ' VAL . 17.5 m -125.12 52.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.3 -105.29 2.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.09 50.12 0.82 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.573 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -180.0 146.74 7.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.561 ' CZ3' ' HG2' ' A' ' 49' ' ' ARG . 94.0 m95 -117.7 129.3 55.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -127.66 164.75 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' GLY . 39.5 p -75.37 123.25 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.45 ' HB2' HG12 ' A' ' 56' ' ' VAL . 23.4 t80 -38.46 -48.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.41 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -61.34 -43.36 99.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.502 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 6.9 t80 -72.98 -24.5 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.932 0.396 . . . . 0.0 110.934 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.427 HD23 ' CZ ' ' A' ' 78' ' ' ARG . 10.8 tp -85.25 -33.07 22.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.763 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -73.16 -38.72 66.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -59.83 -41.93 92.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -80.86 -47.81 13.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.428 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.9 t0 -70.67 119.21 71.37 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.601 0.715 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 54.1 Cg_endo -69.73 -47.08 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.5 p -58.58 -32.11 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.428 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 87.9 mtt-85 -66.89 -45.89 76.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.0 ttt -45.58 -43.73 12.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 79' ' ' MET . 17.7 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 24.4 tp -43.94 -57.83 3.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.58 -58.43 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.27 -40.99 1.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.85 -53.94 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -49.34 -51.03 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -55.12 -47.65 74.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -61.72 -57.46 11.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 mt -47.35 -47.74 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.435 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 62.5 p -67.47 -28.86 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -110.23 29.23 7.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.3 t70 -175.08 105.01 0.26 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.8 Cg_endo -69.79 145.0 78.27 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.356 -0.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.46 17.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.9 t -55.57 125.0 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' CYS . 55.7 mmtt -78.05 -46.97 19.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.6 m -37.51 153.23 0.12 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 3.92 2.52 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.5 m -131.21 119.12 21.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -76.2 150.21 37.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -66.49 158.49 29.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.9 t -89.34 106.91 18.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 71.5 t -136.36 105.25 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -128.17 133.85 48.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -81.15 129.3 34.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.455 ' CD1' HD12 ' A' ' 45' ' ' ILE . 15.5 mt -114.44 -50.72 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.7 m -149.54 174.99 11.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.12 90.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.421 ' HA2' HD21 ' A' ' 10' ' ' LEU . . . 111.28 -33.04 6.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.481 ' CZ ' HG21 ' A' ' 45' ' ' ILE . 17.6 ttt180 -79.42 133.59 36.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.822 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.558 ' HB2' HD12 ' A' ' 48' ' ' ILE . 47.7 m-85 -148.43 147.6 29.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 46.1 ttt85 -85.44 107.86 17.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.8 t -116.17 121.87 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 49.93 59.31 7.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 19.5 pt-20 46.87 38.73 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -144.76 147.75 33.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.481 HG21 ' CZ ' ' A' ' 38' ' ' ARG . 42.0 mm -97.51 115.77 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.0 mt -127.2 142.45 51.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -89.21 97.99 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.558 HD12 ' HB2' ' A' ' 39' ' ' TYR . 79.5 mt -86.79 133.16 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -119.42 172.42 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 10' ' ' LEU . 3.8 ttt -134.22 103.41 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.62 114.62 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 45.75 34.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m120 48.07 36.99 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -126.77 -37.89 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -120.04 149.35 42.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.5 t -115.62 115.86 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.435 ' SD ' HG22 ' A' ' 66' ' ' THR . 21.4 mmm -125.39 156.1 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.428 HG23 HG13 ' A' ' 60' ' ' VAL . 1.0 OUTLIER -117.14 151.05 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.16 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -88.54 134.06 33.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.551 HG11 ' OE2' ' A' ' 65' ' ' GLU . 33.4 m -146.76 130.81 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . 34.04 -91.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 60' ' ' VAL . . . -135.42 52.22 0.8 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -172.92 176.78 45.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 59' ' ' ARG . 65.7 m95 -137.34 124.4 21.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.769 0.318 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.551 ' OE2' HG11 ' A' ' 60' ' ' VAL . 1.4 pm0 -112.3 -173.95 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.435 HG22 ' SD ' ' A' ' 57' ' ' MET . 38.9 p -94.53 111.46 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' THR . 32.0 t80 -35.88 -56.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.99 -50.35 61.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.15 -39.36 97.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.3 t80 -64.62 -31.1 72.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.943 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.9 tp -69.92 -37.38 75.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -64.84 -48.6 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -47.49 -50.54 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -72.14 -57.5 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.436 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.0 t0 -69.46 119.55 71.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.74 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -52.04 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.317 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.465 ' O ' HD12 ' A' ' 80' ' ' LEU . 10.0 p -53.88 -35.33 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 50.2 mtt-85 -64.17 -55.06 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' LEU . 5.3 mmt -39.75 -37.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 77' ' ' CYS . 62.1 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 9' ' ' LEU . 4.0 tt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.652 HD13 ' HB2' ' A' ' 50' ' ' MET . 7.0 tp -44.71 -63.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.54 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -34.56 -55.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.54 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 12.6 t0 -60.46 -47.26 86.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.492 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . . . -63.64 -23.52 67.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 10' ' ' LEU . 96.2 t -81.43 -36.0 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -75.37 -40.14 58.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 7.6 ptp180 -56.47 -48.01 78.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.527 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 68.9 mt -58.46 -39.57 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.451 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 13.1 p -72.89 -21.82 60.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -111.55 24.02 13.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 20.8 m-20 -174.05 105.44 0.29 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.77 144.54 76.94 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.314 0.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.05 16.95 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.234 . . . . 0.0 112.383 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.0 t -56.0 113.98 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' CYS . 12.1 mmtp -71.19 -46.41 61.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.8 m -35.7 153.55 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.88 2.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.727 2.284 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 m -140.08 121.57 15.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -76.2 162.38 28.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -75.31 174.66 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.19 107.47 19.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.6 t -137.35 105.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -130.2 154.78 47.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -95.27 128.81 42.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.455 HD13 HD12 ' A' ' 45' ' ' ILE . 7.0 mt -116.25 -44.36 2.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.1 m -156.0 168.94 25.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -53.81 101.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.14 -15.88 61.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -96.39 133.76 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -151.31 146.55 26.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -79.77 123.85 28.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -127.44 118.57 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.05 47.98 19.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 61.92 39.53 13.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -143.8 145.04 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.455 HD12 HD13 ' A' ' 34' ' ' LEU . 49.1 mm -98.04 105.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.8 mt -118.87 158.78 25.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -102.42 102.33 12.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.775 HG12 HG12 ' A' ' 58' ' ' VAL . 80.1 mt -89.92 114.18 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -107.54 170.71 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.652 ' HB2' HD13 ' A' ' 10' ' ' LEU . 6.8 ttt -131.34 118.22 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.412 HD12 ' HB2' ' A' ' 55' ' ' HIS . 12.9 mt -79.49 109.48 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 54.39 30.71 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 51.85 36.66 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -128.09 -41.61 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.412 ' HB2' HD12 ' A' ' 51' ' ' LEU . 19.2 m-70 -116.09 139.12 50.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.19 111.37 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mtp -115.34 165.91 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.775 HG12 HG12 ' A' ' 48' ' ' ILE . 5.2 m -127.96 155.32 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.555 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -101.21 105.21 16.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.475 HG13 HG23 ' A' ' 58' ' ' VAL . 33.3 m -123.1 166.69 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.11 102.35 0.41 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.46 -36.11 2.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.98 -145.49 9.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.555 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 38.9 m95 -129.31 135.6 48.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -128.13 178.15 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 69' ' ' GLY . 53.2 p -83.7 119.48 24.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.18 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -39.14 -52.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.95 67.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -73.05 -35.99 57.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.519 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.7 t80 -74.77 -26.46 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.921 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.7 tp -84.28 -43.13 15.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.763 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -66.25 -41.02 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.499 ' N ' HD12 ' A' ' 72' ' ' LEU . 10.2 ptpt -62.75 -33.36 74.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 10.9 m80 -81.85 -47.61 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 2.2 t0 -77.57 127.54 82.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.719 . . . . 0.0 110.842 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -54.65 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.437 ' O ' HD12 ' A' ' 80' ' ' LEU . 3.2 p -52.5 -35.83 53.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 18' ' ' SER . 64.0 mtt-85 -62.95 -48.55 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.4 mtp -41.25 -28.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 77' ' ' CYS . 29.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 14' ' ' VAL . 19.7 tp -53.89 -52.14 61.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.88 -48.92 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.26 -43.8 98.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.02 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.558 HG13 ' CE2' ' A' ' 67' ' ' PHE . 87.6 t -58.86 -43.22 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -64.18 -45.86 86.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -65.4 -58.25 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mt -48.74 -50.5 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.6 p -57.85 -32.39 67.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -104.99 28.39 7.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 31.4 t0 -173.78 105.06 0.3 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.567 0.699 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.8 Cg_endo -69.75 146.08 81.16 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.377 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 131.66 21.76 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 39.7 t -56.41 107.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -64.62 -42.68 95.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.0 m -39.67 152.61 0.2 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 2.65 3.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.1 m -143.96 108.26 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -65.41 160.09 22.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -72.32 172.36 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.49 113.67 25.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.9 t -138.21 105.72 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -124.93 137.32 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 5.1 tmm_? -85.17 122.61 29.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 45' ' ' ILE . 14.3 mt -108.34 -50.7 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -142.34 176.62 8.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -40.53 -57.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 48' ' ' ILE . . . -117.58 41.23 2.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.485 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 18.5 ttp180 -138.78 128.46 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.332 . . . . 0.0 110.896 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 24.9 m-85 -146.74 160.3 42.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' NH1' ' HA ' ' A' ' 43' ' ' GLU . 11.9 ttm-85 -92.99 111.76 23.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.0 t -115.01 114.12 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 51.74 52.0 36.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HA ' ' NH1' ' A' ' 40' ' ' ARG . 4.6 tt0 59.23 39.6 22.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.959 0.409 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -142.79 153.5 43.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.417 HD12 ' CD1' ' A' ' 34' ' ' LEU . 50.4 mm -105.67 107.65 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.4 mt -116.91 159.7 22.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -104.61 99.77 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.698 HG12 HG12 ' A' ' 58' ' ' VAL . 41.4 mt -93.19 135.23 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.55 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 35.1 ptt180 -131.21 165.55 23.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.7 ttt -122.66 114.35 20.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.07 105.28 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 56.56 32.89 21.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.7 m120 48.93 37.84 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -130.1 -37.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -118.79 148.07 43.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 67' ' ' PHE . 95.2 t -112.96 113.55 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.3 mmm -124.41 165.7 17.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.698 HG12 HG12 ' A' ' 48' ' ' ILE . 3.8 m -130.19 164.63 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.57 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 12.4 tpt180 -104.69 108.04 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.493 HG21 ' OE1' ' A' ' 65' ' ' GLU . 35.9 m -111.87 39.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 46.06 89.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.0 -44.24 1.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.78 172.38 37.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 85.8 m95 -110.08 130.8 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.493 ' OE1' HG21 ' A' ' 60' ' ' VAL . 4.6 pt-20 -124.07 167.94 13.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 69.7 p -75.04 117.17 16.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.558 ' CE2' HG13 ' A' ' 14' ' ' VAL . 30.2 t80 -35.84 -54.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.35 -39.07 63.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.591 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -61.7 -45.17 96.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.2 t80 -67.22 -32.96 74.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 tp -69.32 -44.48 71.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.591 HD23 ' HA2' ' A' ' 69' ' ' GLY . 0.4 OUTLIER -60.21 -40.37 89.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.974 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 31.7 mttm -49.0 -53.02 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -77.18 -48.23 18.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 10.3 t0 -66.25 116.42 33.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.561 0.696 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.09 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.354 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.6 p -54.82 -27.0 38.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 75.8 mtt-85 -75.52 -41.42 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.9 mmt -42.35 -38.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 79' ' ' MET . 76.3 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 14' ' ' VAL . 19.5 tp -36.05 -57.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -41.18 -54.65 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.532 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 6.2 t70 -48.95 -53.17 20.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.48 ' HA ' ' CD ' ' A' ' 16' ' ' ARG . . . -62.62 -24.63 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.07 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 10' ' ' LEU . 83.7 t -79.98 -34.03 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -79.52 -44.34 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 50.1 ptt85 -51.85 -51.11 58.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.52 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 66.7 mt -56.73 -46.97 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 p -62.89 -22.22 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -111.27 25.16 12.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.9 t0 -174.57 105.0 0.27 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.2 Cg_endo -69.75 144.45 76.64 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.297 0.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 131.05 20.43 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.393 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.5 t -58.32 120.98 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 25' ' ' CYS . 61.0 mmtt -73.72 -48.61 30.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.6 m -35.93 151.32 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 110.947 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.56 3.45 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.8 m -137.62 109.11 6.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -62.64 168.81 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -79.9 170.9 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.2 t -90.82 107.79 19.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.9 t -138.68 105.69 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -136.44 123.35 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 -73.68 132.29 42.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 45' ' ' ILE . 6.4 mt -110.56 -44.94 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.0 m -159.88 -175.44 5.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.69 106.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.74 30.63 31.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.54 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 17.9 ttm180 -145.6 127.59 15.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 43.3 m-85 -146.66 149.31 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -82.98 114.94 21.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' LYS . 90.7 t -116.81 127.26 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 38.67 51.02 2.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 60.67 38.62 18.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.394 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.7 mttm -141.23 154.59 45.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.442 HD12 ' CD1' ' A' ' 34' ' ' LEU . 46.4 mm -105.23 100.88 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.9 mt -114.36 154.55 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -102.29 99.63 9.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.739 HG12 HG12 ' A' ' 58' ' ' VAL . 44.0 mt -92.61 121.09 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.581 ' NH1' HD23 ' A' ' 51' ' ' LEU . 3.5 ttp85 -121.32 157.51 30.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.504 ' N ' ' HG3' ' A' ' 49' ' ' ARG . 6.0 ttt -107.74 135.43 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.581 HD23 ' NH1' ' A' ' 49' ' ' ARG . 14.4 mt -91.84 102.98 15.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 57.44 36.62 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 22.7 t-20 46.34 40.31 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -134.09 -34.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.498 ' HB2' HD12 ' A' ' 51' ' ' LEU . 20.2 m-70 -123.48 149.67 44.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.5 t -118.18 103.6 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.4 mmm -113.84 165.06 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.739 HG12 HG12 ' A' ' 48' ' ' ILE . 3.0 m -121.7 143.06 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 2.1 tmt_? -94.05 115.51 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 63' ' ' GLY . 5.1 m -116.12 21.68 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.47 ' HA2' ' CZ ' ' A' ' 59' ' ' ARG . . . 94.99 85.31 1.67 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.54 -36.87 2.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.448 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -104.61 144.85 15.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 44.5 m95 -126.94 136.61 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.736 0.303 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -131.81 170.34 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' GLY . 61.8 p -76.68 119.17 20.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.142 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -41.38 -51.48 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.26 -32.57 64.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -71.43 -48.12 31.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.53 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 5.4 t80 -63.11 -24.17 67.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 tp -84.89 -50.65 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.662 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -57.13 -33.21 67.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -68.92 -39.43 79.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.487 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 13.5 m80 -75.04 -48.14 25.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -79.99 129.16 71.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.565 0.697 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -55.9 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 p -51.95 -28.03 15.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.5 mtt-85 -71.82 -38.02 70.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 36.4 mtp -44.7 -38.28 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.7 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 9' ' ' LEU . 3.7 mm? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.729 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.6 tp -57.23 -56.45 21.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.85 -50.18 27.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.89 -43.97 94.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.467 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . . . -67.03 -23.8 65.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 10' ' ' LEU . 99.2 t -83.15 -39.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -72.86 -35.73 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 9.7 ptp180 -60.99 -46.38 90.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.589 HG21 ' HB2' ' A' ' 68' ' ' ALA . 73.7 mt -62.52 -42.7 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 p -70.54 -15.16 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -115.82 24.22 11.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 3.0 m-20 -174.15 105.03 0.28 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.588 0.709 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.7 Cg_endo -69.75 145.98 80.89 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.326 0.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 127.0 13.97 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.0 t -52.53 121.37 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' CYS . 41.6 mttt -80.78 -42.62 21.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.3 m -38.1 153.53 0.14 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.98 2.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 2.28 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.2 m -140.1 117.64 11.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 141.34 51.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -53.31 165.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.4 t -92.17 108.46 19.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 82.5 t -136.4 105.92 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -126.82 132.62 50.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.579 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -83.4 122.03 27.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 45' ' ' ILE . 22.0 mt -107.52 -45.91 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -144.18 174.48 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.433 ' O ' HD23 ' A' ' 10' ' ' LEU . 10.5 mm100 -44.87 -48.3 11.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.59 40.01 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.534 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 41.5 ttp180 -141.08 136.1 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 55.9 m-85 -154.65 152.17 29.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 34.5 ttm180 -84.51 127.59 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.85 119.5 45.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.84 51.97 17.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 59.16 40.24 21.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -144.16 155.69 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 34' ' ' LEU . 39.3 mm -107.4 99.55 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.4 mt -110.1 147.22 34.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -94.66 103.47 15.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.778 HG12 HG12 ' A' ' 58' ' ' VAL . 70.1 mt -96.5 134.52 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -129.15 167.33 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.4 ttt -124.59 121.72 35.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 5.5 mp -79.01 103.59 9.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 55.27 33.14 20.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 51.06 38.85 21.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -127.38 -36.76 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -123.26 150.41 43.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.42 102.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.473 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 6.4 mtp -111.66 165.69 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.778 HG12 HG12 ' A' ' 48' ' ' ILE . 4.8 m -127.73 163.01 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.554 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -107.72 105.16 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 61' ' ' GLY . 31.2 m -129.69 139.25 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -36.16 105.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.8 -42.42 1.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 172.31 -149.99 12.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.554 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 49.8 m95 -126.8 131.31 51.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.749 0.309 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -124.57 175.49 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' GLY . 72.8 p -79.4 114.23 18.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 14' ' ' VAL . 29.0 t80 -35.45 -56.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.589 ' HB2' HG21 ' A' ' 17' ' ' ILE . . . -52.81 -39.32 62.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.74 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -64.35 -41.29 98.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.6 t80 -68.88 -33.62 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.2 tp -72.04 -46.89 55.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.74 HD23 ' HA2' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -56.07 -40.27 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.42 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 36.8 mtpt -62.22 -63.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -53.63 -43.76 69.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.425 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 3.2 t0 -77.69 124.55 86.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.411 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 53.7 Cg_endo -69.72 -55.3 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.25 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.0 p -51.87 -36.48 48.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.425 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 64.8 mtt-85 -65.88 -41.73 91.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 80' ' ' LEU . 4.3 ttt -48.35 -43.07 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 79' ' ' MET . 46.1 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.463 HD13 ' HG2' ' A' ' 50' ' ' MET . 64.7 tp -44.74 -57.64 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.23 -52.08 62.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -50.02 -47.4 53.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.42 -62.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 10' ' ' LEU . 67.4 t -44.76 -45.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -64.14 -35.34 80.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -74.83 -61.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.412 HG21 ' HB2' ' A' ' 68' ' ' ALA . 79.0 mt -47.42 -38.5 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.417 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 54.5 p -71.87 -31.87 66.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -104.7 32.17 4.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 9.2 t0 -174.77 105.16 0.27 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.552 0.691 . . . . 0.0 110.832 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.7 Cg_endo -69.7 145.26 78.8 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.331 -0.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.21 22.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.619 2.213 . . . . 0.0 112.375 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.466 ' HB3' ' CD ' ' A' ' 28' ' ' LYS . 23.3 t -55.26 121.06 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' CYS . 45.1 mmtm -73.28 -46.23 51.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.7 m -36.58 152.16 0.1 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.665 0.745 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 1.82 4.08 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 m -134.93 89.6 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' CD ' ' HB3' ' A' ' 23' ' ' CYS . 20.1 tptp -50.5 139.26 16.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.63 158.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -92.12 107.44 19.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.7 t -133.17 107.05 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 4.9 tp10 -126.01 150.89 47.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 5.4 tmm_? -95.46 124.08 39.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.5 ' CD1' HD12 ' A' ' 45' ' ' ILE . 15.2 mt -108.58 -50.27 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' GLY . 2.0 m -147.36 172.34 14.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.418 ' CD ' ' H ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -58.99 78.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' SER . . . 125.64 -28.73 4.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -86.82 130.53 34.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.466 ' HB2' HD12 ' A' ' 48' ' ' ILE . 80.8 m-85 -146.02 145.11 30.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -81.67 120.53 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.7 t -125.0 108.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.1 48.87 70.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 60.79 36.28 19.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -143.43 136.67 27.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' A' ' 34' ' ' LEU . 45.6 mm -89.21 111.77 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.9 mt -122.59 136.83 54.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -82.17 104.59 12.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.472 HG12 HG12 ' A' ' 58' ' ' VAL . 97.0 mt -92.92 121.27 43.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.581 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 13.2 ptm180 -120.26 167.93 11.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.463 ' HG2' HD13 ' A' ' 10' ' ' LEU . 1.6 mmt -116.91 143.9 45.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 51' ' ' LEU . 15.2 mt -102.26 95.0 6.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.1 m170 61.19 25.48 15.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 24.6 t30 59.4 35.47 23.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.472 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 32.6 tttt -127.69 -40.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.472 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 2.1 m-70 -122.09 149.08 44.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -108.6 108.62 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 mtt -107.83 165.78 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.547 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 3.6 m -134.5 166.55 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.515 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 9.4 tpt180 -106.42 117.73 34.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.464 HG21 ' OE2' ' A' ' 65' ' ' GLU . 31.3 m -146.29 142.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.29 95.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.452 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 60' ' ' VAL . . . 145.07 -36.39 1.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.445 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.53 -133.13 3.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.581 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 76.4 m95 -134.33 127.8 32.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.721 0.296 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.464 ' OE2' HG21 ' A' ' 60' ' ' VAL . 10.6 pt-20 -124.07 170.29 10.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 69' ' ' GLY . 49.7 p -74.48 115.59 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' THR . 26.9 t80 -35.17 -63.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 17' ' ' ILE . . . -47.59 -36.16 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -68.14 -40.6 88.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.7 t80 -70.41 -35.85 73.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 0.0 110.934 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.49 -51.8 57.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.66 -34.64 67.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -59.35 -61.05 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -64.62 -49.38 71.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.41 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 9.5 t0 -63.16 117.01 29.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.461 ' O ' HD12 ' A' ' 80' ' ' LEU . 15.4 p -54.42 -31.03 54.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 18' ' ' SER . 93.0 mtt-85 -71.23 -46.15 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.44 ' HA ' ' HE3' ' A' ' 79' ' ' MET . 0.0 OUTLIER -40.49 -27.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 77' ' ' CYS . 37.9 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 53' ' ' ASN . 6.4 tp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.87 -62.22 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -42.06 -48.49 4.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.11 -43.08 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.94 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.457 HG13 ' CE2' ' A' ' 67' ' ' PHE . 88.2 t -41.81 -51.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -47.24 80.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 mtp85 -53.72 -46.77 70.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.9 mt -70.17 -46.48 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p -60.68 -25.58 66.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' O ' ' CA ' ' A' ' 22' ' ' PRO . 11.9 mm-40 -100.52 -21.35 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -134.56 114.46 12.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.562 0.696 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 140.45 60.53 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.382 0.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.406 ' CA ' ' O ' ' A' ' 19' ' ' GLU . 53.6 Cg_endo -69.79 130.75 19.85 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.1 t -54.42 120.39 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' CYS . 32.6 mmtp -67.39 -48.49 67.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LYS . 15.2 m -34.94 152.27 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.85 3.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.7 m -137.41 108.98 6.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.44 139.94 58.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CD2' HD11 ' A' ' 71' ' ' LEU . 3.8 t80 -49.62 173.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -97.75 109.49 22.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -138.94 107.14 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -131.42 128.85 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -74.63 128.48 35.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 mt -115.2 -45.43 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 t -154.27 170.75 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -58.43 94.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' ILE . . . 110.94 -28.11 10.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.53 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.457 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 15.5 ttp180 -90.16 137.49 32.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 61.1 m-85 -151.7 142.64 23.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -81.13 99.18 8.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.536 ' HB ' HD12 ' A' ' 46' ' ' LEU . 44.2 t -110.98 133.84 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' LYS . . . 39.95 70.49 0.35 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' GLY . 16.1 pt-20 37.55 28.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.923 0.392 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLY . 39.4 mttp -133.97 154.58 51.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.0 mm -105.77 105.27 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.536 HD12 ' HB ' ' A' ' 41' ' ' VAL . 6.1 mt -118.01 151.09 38.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -99.64 99.89 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.738 HG12 HG12 ' A' ' 58' ' ' VAL . 51.4 mt -83.15 133.23 29.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -126.01 169.05 13.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.0 ttt -127.72 120.24 27.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.461 HD12 ' HB2' ' A' ' 55' ' ' HIS . 21.2 mt -86.54 111.04 20.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 18.8 m-70 49.71 35.71 9.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 1.1 p-10 47.23 34.88 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -128.05 -34.41 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB2' HD12 ' A' ' 51' ' ' LEU . 20.2 m-70 -122.27 147.11 46.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.92 102.83 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.6 mmm -108.03 165.69 11.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.738 HG12 HG12 ' A' ' 48' ' ' ILE . 13.6 m -127.33 152.8 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.54 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 7.4 tpp180 -82.12 116.05 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.522 HG23 HG23 ' A' ' 58' ' ' VAL . 72.0 t -138.92 114.44 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 41.4 -119.76 1.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.432 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.82 42.15 2.0 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -175.52 133.98 2.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.54 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 40.6 m95 -94.16 133.91 37.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.724 0.297 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -118.47 167.57 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' GLY . 67.4 p -75.3 121.06 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.457 ' CE2' HG13 ' A' ' 14' ' ' VAL . 17.6 t80 -35.19 -67.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.43 -32.72 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -71.85 -36.44 61.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.3 t80 -75.82 -35.23 60.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 29' ' ' PHE . 11.6 tp -69.82 -41.91 74.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -63.89 -35.61 81.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -54.26 -53.69 50.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -76.18 -43.02 44.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.23 117.52 53.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.7 p -54.37 -29.2 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -78.02 -42.74 31.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.56 -47.61 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' H ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.752 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.617 HD11 HG22 ' A' ' 48' ' ' ILE . 5.9 tp -82.61 -36.2 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.6 -27.2 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.7 -52.9 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -62.52 -49.12 76.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.072 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 10' ' ' LEU . 92.1 t -58.42 -47.32 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -60.36 -44.76 95.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -66.31 -60.63 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.3 mt -49.43 -50.23 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.5 p -56.11 -36.12 67.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -105.77 31.46 5.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 10.7 t70 -174.52 105.03 0.27 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.76 145.7 80.14 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.324 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 132.05 22.43 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.1 t -54.23 114.04 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.6 mttt -71.45 -46.94 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' LYS . 4.4 m -36.75 154.82 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.8 2.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.8 t -131.79 141.7 49.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.18 143.84 26.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -65.59 162.43 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.27 106.86 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.8 t -139.25 107.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 6.6 tp10 -130.82 152.26 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 18.3 ttt85 -92.42 130.69 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' CD1' HD12 ' A' ' 45' ' ' ILE . 8.6 mt -115.14 -46.75 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.6 m -145.72 177.7 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -38.99 -58.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.5 43.31 1.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.516 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 12.1 ttm180 -136.91 136.83 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.894 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 39.0 m-85 -150.54 151.77 33.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -89.11 102.11 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.7 t -110.27 130.6 63.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' GLU . . . 40.41 71.42 0.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.504 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLY . 1.6 tm-20 36.56 37.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.958 0.409 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -144.85 150.35 36.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.436 HD12 ' CD1' ' A' ' 34' ' ' LEU . 50.5 mm -101.62 112.11 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 45' ' ' ILE . 24.1 mt -127.6 138.94 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -84.57 106.71 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.617 HG22 HD11 ' A' ' 10' ' ' LEU . 69.2 mt -95.66 120.43 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.439 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 35.2 mmm-85 -118.4 150.69 39.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.421 ' HE3' ' N ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -108.09 116.1 31.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.9 mt -74.61 108.68 7.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 46.89 31.6 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.8 t30 51.98 36.78 19.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 23.1 tttt -128.05 -41.49 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 1.6 m-70 -122.28 126.87 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.554 HG21 ' HB1' ' A' ' 13' ' ' ALA . 42.6 t -94.85 115.4 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.8 mmm -120.89 165.98 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.586 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 11.6 m -125.14 165.92 21.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -103.16 109.53 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 63' ' ' GLY . 26.1 m -119.7 39.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.89 65.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.6 -32.83 2.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.428 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.762 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -89.81 129.22 9.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.586 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 96.0 m95 -105.64 117.53 34.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.709 0.29 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -115.5 169.63 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -74.27 119.58 18.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -45.25 -49.28 12.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.79 -28.1 54.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.15 -47.62 17.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 2.6 t80 -65.9 -26.87 67.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.98 0.419 . . . . 0.0 110.969 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.0 tp -82.03 -38.37 25.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -71.5 -42.5 67.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.578 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.7 ptpt -54.61 -36.73 64.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 17.1 m80 -87.89 -50.64 6.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' HD2' ' A' ' 76' ' ' PRO . 12.2 t0 -63.18 117.11 30.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.409 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 54.3 Cg_endo -69.7 -34.53 14.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.26 . . . . 0.0 112.385 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.5 p -70.76 -19.78 62.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -87.38 -40.7 14.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mmm -49.71 -21.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -90.69 131.03 36.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 m -97.83 -51.2 4.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.25 68.38 1.02 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 p -136.85 146.26 45.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -55.16 175.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.8 106.83 1.18 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -72.26 139.82 48.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.631 ' H ' HD12 ' A' ' 9' ' ' LEU . 5.8 mp -58.61 -55.82 30.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.0 tp -54.48 -53.92 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -56.37 -43.56 79.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.14 -48.85 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.03 -51.57 60.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 10' ' ' LEU . 59.7 t -53.06 -48.92 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -56.15 -49.52 73.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.19 -63.64 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.7 mt -43.49 -51.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.5 p -57.72 -36.41 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -102.69 31.46 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -172.49 104.99 0.34 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 145.47 79.47 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.332 0.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.48 17.68 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.655 2.236 . . . . 0.0 112.371 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.6 t -51.15 122.94 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' CYS . 44.8 mmtm -72.19 -47.41 50.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' LYS . 7.8 m -36.84 152.64 0.1 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 1.04 4.77 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.8 m -131.96 114.26 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -66.65 141.29 57.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -56.32 160.28 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.9 t -86.95 107.08 18.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.5 t -139.13 106.47 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.425 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 1.2 tm-20 -128.79 140.64 51.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.511 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 27.9 ttp180 -84.41 124.34 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.596 HD11 HD12 ' A' ' 45' ' ' ILE . 16.6 mt -105.61 -49.37 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 38' ' ' ARG . 1.6 t -165.47 153.52 11.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' SER . 17.3 mm-40 -34.72 109.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.86 26.53 49.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 15.8 ttt85 -144.77 124.36 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.352 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.511 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 48.3 m-85 -146.02 144.12 29.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -82.95 96.86 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.42 112.98 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.72 -107.95 1.99 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -124.25 25.8 7.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -143.77 158.44 43.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.596 HD12 HD11 ' A' ' 34' ' ' LEU . 47.2 mm -107.43 117.63 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.441 HD11 ' CZ ' ' A' ' 70' ' ' TYR . 38.0 mt -121.08 164.53 16.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.418 ' CZ ' ' NH1' ' A' ' 38' ' ' ARG . 83.6 m-85 -107.42 99.73 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.489 HG12 HG12 ' A' ' 58' ' ' VAL . 62.1 mt -83.66 120.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -114.33 167.7 10.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.8 ttt -128.85 120.24 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.468 HD12 ' HB2' ' A' ' 55' ' ' HIS . 14.8 mt -83.9 113.11 20.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 50.51 36.89 14.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 44.46 34.88 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -130.12 -35.71 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.468 ' HB2' HD12 ' A' ' 51' ' ' LEU . 9.0 m-70 -117.18 140.54 49.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.415 HG12 ' HB2' ' A' ' 67' ' ' PHE . 41.3 t -111.71 112.77 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.1 mmm -120.89 165.6 14.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.531 ' C ' ' CE3' ' A' ' 64' ' ' TRP . 3.4 m -127.22 156.78 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.588 ' HG2' ' CZ2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -93.42 112.36 24.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.861 HG22 ' O ' ' A' ' 63' ' ' GLY . 15.6 m -109.65 -176.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -89.6 51.79 3.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.4 36.69 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.861 ' O ' HG22 ' A' ' 60' ' ' VAL . . . 129.06 -162.83 22.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.588 ' CZ2' ' HG2' ' A' ' 59' ' ' ARG . 34.0 m95 -135.39 140.72 45.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.729 0.299 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -126.65 176.39 7.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 69' ' ' GLY . 65.8 p -79.11 121.71 25.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.132 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.451 ' CE2' HG13 ' A' ' 14' ' ' VAL . 31.4 t80 -41.52 -53.39 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.97 -29.35 65.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.712 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -78.44 -38.12 25.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.46 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.4 t80 -68.32 -32.57 72.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 0.0 110.939 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.9 tp -71.44 -49.7 38.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.712 HD23 ' HA2' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -53.67 -37.2 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.411 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 21.6 mtmt -53.6 -57.53 10.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -70.69 -55.28 9.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.36 116.18 13.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -46.73 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.8 p -57.73 -23.16 50.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -83.06 -42.86 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.05 -30.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp -47.1 -57.76 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -50.95 150.48 2.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.9 mm -53.74 108.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.8 m -134.25 159.66 40.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.0 mtp85 -147.79 106.16 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.4 m -142.23 167.25 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -106.62 -60.73 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.32 -143.38 9.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -139.52 117.96 12.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.851 0.357 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.5 m -104.34 99.98 9.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.0 t -152.31 141.17 14.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 118.29 5.6 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.242 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 t -38.38 152.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.67 99.75 1.04 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.89 4.1 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 94.3 p -134.46 157.74 45.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.3 p -149.5 149.11 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.476 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -107.52 136.01 48.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 m -147.74 172.95 13.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.9 136.11 4.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -99.12 42.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.84 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 m -58.63 119.94 8.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.54 -35.75 25.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 72.73 44.6 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.5 mt -85.9 -38.14 18.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.655 HD13 ' HB2' ' A' ' 50' ' ' MET . 15.0 tp -64.22 -49.79 70.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.54 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -46.61 -55.18 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.54 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 12.4 t0 -58.78 -44.8 90.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.4 -46.44 83.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.98 -44.0 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -59.97 -47.28 86.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -61.58 -64.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.1 mt -44.86 -49.66 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.409 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 61.0 p -59.15 -34.21 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -103.85 31.96 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 21.1 t0 -174.55 105.11 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.78 144.17 75.95 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.327 0.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.65 14.92 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 16.7 t -53.56 127.7 26.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -78.63 -40.96 32.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -44.55 152.63 0.51 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -1.35 8.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.8 m -134.9 95.87 3.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -54.27 165.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -71.57 168.12 18.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 t -100.56 110.89 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.9 t -136.92 109.78 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.59 143.88 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.554 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -91.15 119.4 31.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.494 HD11 HD12 ' A' ' 45' ' ' ILE . 44.2 mt -104.44 -50.46 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -143.48 171.94 13.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -38.91 -50.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.14 40.34 2.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 26.7 ttt180 -139.68 133.29 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.72 ' HB2' HD12 ' A' ' 48' ' ' ILE . 61.8 m-85 -150.24 159.09 44.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 ttm-85 -95.5 96.34 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.5 t -92.67 110.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.73 -110.74 3.61 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -123.94 26.25 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -144.76 155.71 43.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.494 HD12 HD11 ' A' ' 34' ' ' LEU . 27.6 mm -101.51 120.41 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 mt -125.51 155.77 40.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -93.84 100.3 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.755 HG12 HG12 ' A' ' 58' ' ' VAL . 48.4 mt -93.11 117.5 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.558 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 10.7 ptm180 -113.82 169.73 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.655 ' HB2' HD13 ' A' ' 10' ' ' LEU . 8.3 ttt -126.91 117.51 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mt -74.07 103.81 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 56.56 34.32 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 48.92 39.69 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -131.45 -37.9 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -119.84 136.69 54.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.412 HG12 ' HB2' ' A' ' 67' ' ' PHE . 95.3 t -104.55 103.21 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.2 mmm -110.83 165.96 11.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.755 HG12 HG12 ' A' ' 48' ' ' ILE . 14.5 m -126.53 165.51 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -100.5 111.86 24.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.47 ' O ' ' C ' ' A' ' 61' ' ' GLY . 34.4 m -142.38 123.86 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . 32.98 80.94 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . 33.66 46.9 0.43 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.65 157.03 27.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.558 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 98.8 m95 -123.36 122.8 39.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -123.54 170.42 10.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 69' ' ' GLY . 70.4 p -75.33 113.84 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' THR . 33.1 t80 -36.23 -48.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.6 78.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -57.81 -44.66 94.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.4 t80 -67.53 -37.8 83.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.958 0.409 . . . . 0.0 110.935 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 tp -64.14 -53.99 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.758 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -52.74 -39.64 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.411 ' N ' HD12 ' A' ' 72' ' ' LEU . 48.5 mttt -60.39 -63.54 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.35 -44.85 76.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.419 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.0 t0 -74.15 118.89 73.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.657 ' O ' HD12 ' A' ' 80' ' ' LEU . 13.8 p -54.51 -38.64 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.419 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 92.0 mtt-85 -60.85 -48.23 82.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.2 mtp -39.74 -36.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 77' ' ' CYS . 18.7 mt -39.55 -45.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -56.35 175.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.86 124.25 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.1 p -149.27 149.18 30.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.61 166.23 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 85' ' ' VAL . 9.6 p -79.7 126.15 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -78.87 -59.72 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.22 -160.29 30.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.83 169.74 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.7 t -164.79 163.66 21.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.2 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.5 t -77.06 137.34 65.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 157.64 59.63 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.6 m -146.39 -176.94 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.59 79.22 0.35 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 177.51 5.47 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.372 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.2 t -62.83 154.73 29.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.7 t -113.86 -61.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.491 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 1' ' ' GLY . 34.2 m 37.76 41.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -102.57 130.45 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.2 45.38 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 p -131.13 40.83 3.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -105.49 83.39 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.45 87.03 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -161.91 145.33 12.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mp -81.5 -35.71 30.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' ' 14' ' ' VAL . 5.6 tp -56.97 -58.9 6.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 0.8 OUTLIER -49.11 -40.2 31.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.831 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -67.82 -41.68 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.37 -27.8 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 10' ' ' LEU . 93.3 t -76.18 -30.36 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -81.72 -40.72 22.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.527 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.3 OUTLIER -63.08 -51.91 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.527 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 92.0 mt -58.06 -37.46 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.429 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 73.9 p -76.13 -21.73 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -112.43 26.19 10.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 5.7 t0 -173.06 105.0 0.32 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.78 145.77 80.39 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.324 0.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.26 15.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -48.75 103.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -62.7 -37.67 87.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 m -47.69 153.01 1.14 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 3.67 2.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.378 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.6 m -129.82 90.81 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HE3' ' N ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -56.12 113.58 1.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.515 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 2.4 t80 -35.52 153.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.6 t -87.67 108.36 19.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -138.11 105.91 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -134.92 142.77 46.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.557 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 35.7 ttp180 -90.39 128.79 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' A' ' 45' ' ' ILE . 27.9 mt -103.58 -46.93 4.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.06 168.12 28.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -55.12 91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.44 34.88 3.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.525 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.463 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 16.3 ttp180 -159.28 127.23 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 15.4 m-85 -144.03 150.66 38.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -87.11 112.67 22.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.1 t -116.1 105.35 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.05 56.84 22.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 56.82 38.97 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -143.38 152.28 41.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.438 HD12 ' CD1' ' A' ' 34' ' ' LEU . 49.8 mm -107.24 104.78 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.7 mt -113.7 150.4 33.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -99.17 102.23 13.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.791 HG12 HG12 ' A' ' 58' ' ' VAL . 62.1 mt -93.24 124.0 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -111.9 172.61 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.522 ' HB2' HD13 ' A' ' 10' ' ' LEU . 2.8 ttt -129.71 109.12 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.3 mt -70.92 115.21 9.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 47.96 30.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 53.17 35.37 19.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -128.09 -42.23 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -114.39 145.69 41.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.18 106.64 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.8 mmm -112.37 165.92 11.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.791 HG12 HG12 ' A' ' 48' ' ' ILE . 3.2 m -126.35 160.59 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.58 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 11.8 tpt180 -99.53 110.29 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 60' ' ' VAL . 15.4 m -122.68 81.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.58 -94.52 0.75 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.556 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -129.05 45.05 1.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.2 154.24 24.01 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.462 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 90.5 m95 -117.34 128.04 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -125.29 170.49 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.9 p -74.89 117.12 16.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -38.86 -60.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.86 -53.77 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.98 -49.94 28.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.2 t80 -59.47 -23.89 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.925 0.393 . . . . 0.0 110.921 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.05 -33.58 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.563 HD22 ' HB3' ' A' ' 78' ' ' ARG . 3.8 mt -71.5 -51.96 20.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.402 ' CD ' ' HA ' ' A' ' 70' ' ' TYR . 15.9 ptmt -47.5 -42.67 23.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -82.99 -50.21 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.427 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.8 t0 -76.15 119.27 76.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.722 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -51.03 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.426 ' HA ' HD12 ' A' ' 80' ' ' LEU . 11.3 p -55.72 -20.57 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.563 ' HB3' HD22 ' A' ' 72' ' ' LEU . 55.3 mtt-85 -84.3 -49.8 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 81' ' ' GLN . 2.2 mmt -54.35 -32.41 56.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 77' ' ' CYS . 19.3 mt -41.7 -24.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 79' ' ' MET . 7.1 pt20 -84.51 30.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 80.3 mt -150.34 138.01 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.2 t -95.41 63.62 2.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -142.72 174.58 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.2 m -137.32 147.32 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -43.35 -61.76 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.4 120.12 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? 65.61 38.0 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 t -93.34 135.71 34.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.7 p -65.75 135.46 95.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 120.81 7.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.3 p -165.49 144.14 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -139.09 73.35 0.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.43 3.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.262 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.4 t -133.56 133.73 42.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.2 t -85.22 41.75 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.81 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.496 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -67.56 -54.65 18.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -51.41 160.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.805 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.94 -171.21 37.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.441 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -83.15 42.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t 40.65 42.29 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.88 127.78 0.92 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -118.5 84.94 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.52 -48.16 61.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 36' ' ' GLN . 26.5 tp -42.17 -59.22 1.85 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -49.99 -56.3 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -40.76 -44.57 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.82 -60.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.554 HG13 ' CE2' ' A' ' 67' ' ' PHE . 58.5 t -46.78 -26.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.19 -42.33 19.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.535 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 3.4 ptm180 -67.89 -50.29 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.535 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 26.0 mt -55.01 -39.4 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.442 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 40.5 p -68.19 -29.37 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -106.59 31.38 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 5.5 t70 -174.95 104.98 0.26 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.9 Cg_endo -69.76 144.81 77.68 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.341 0.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.72 18.09 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.281 . . . . 0.0 112.291 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 t -56.0 115.13 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.7 mmtp -67.89 -47.61 68.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.4 m -37.8 152.66 0.14 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.33 3.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.8 m -141.45 111.29 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -71.06 154.57 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -60.63 162.23 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -86.39 107.21 17.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -133.83 114.73 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -131.65 143.47 50.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 40.0 ttp180 -77.93 109.83 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' HB2' ' C ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -87.75 -47.59 8.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -167.32 178.59 5.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.456 ' O ' HD23 ' A' ' 10' ' ' LEU . 15.6 pt20 -39.69 -45.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.97 36.86 2.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.599 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 5.9 ttp180 -137.63 145.05 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 38' ' ' ARG . 88.6 m-85 -161.67 133.72 5.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -79.07 118.55 21.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.9 t -125.63 121.88 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.08 46.09 42.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 63.24 38.11 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -141.66 152.15 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mm -107.95 99.93 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.5 mt -112.89 148.62 34.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -96.14 101.51 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.775 HG12 HG12 ' A' ' 58' ' ' VAL . 65.2 mt -84.45 122.54 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.4 mtp-105 -119.12 151.61 37.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.0 ttt -116.27 121.6 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 mt -84.67 109.48 18.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.432 ' C ' ' CG ' ' A' ' 53' ' ' ASN . 39.9 m-70 53.08 35.56 19.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' CG ' ' C ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER 46.88 30.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -120.46 -33.96 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -120.28 149.73 41.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.1 t -121.45 96.84 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.468 ' SD ' HG22 ' A' ' 66' ' ' THR . 14.5 mmm -105.94 164.74 11.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.775 HG12 HG12 ' A' ' 48' ' ' ILE . 16.1 m -128.16 154.25 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.56 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 6.9 tmm_? -87.11 100.56 12.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.767 HG23 HG23 ' A' ' 58' ' ' VAL . 98.5 t -118.15 118.55 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -30.95 108.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.12 -22.29 8.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.517 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 168.36 -150.61 16.54 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 52.1 m95 -137.54 128.81 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.296 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.72 173.19 6.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.468 HG22 ' SD ' ' A' ' 57' ' ' MET . 69.8 p -80.63 119.6 23.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE2' HG13 ' A' ' 14' ' ' VAL . 28.5 t80 -40.86 -50.95 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.88 -32.0 69.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -76.23 -35.97 41.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.4 t80 -71.71 -33.18 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.942 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.0 tp -71.09 -53.7 13.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.754 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.69 -35.76 68.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -54.72 -50.78 67.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -76.94 -48.23 18.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.429 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.4 t0 -65.67 118.17 48.68 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.39 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.378 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.415 ' O ' HD12 ' A' ' 80' ' ' LEU . 12.6 p -55.03 -35.15 64.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 18' ' ' SER . 68.9 mtt-85 -63.31 -46.41 86.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 80' ' ' LEU . 9.6 mmt -40.86 -36.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 79' ' ' MET . 15.3 mt -36.87 -47.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.466 HE21 HD22 ' A' ' 72' ' ' LEU . 12.7 pt20 -55.2 139.27 42.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 82' ' ' ILE . 5.2 mp -95.87 95.67 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.9 p -171.93 128.44 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 54.79 41.94 31.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.4 m -121.64 38.96 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -116.51 118.12 31.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.431 ' O ' HG23 ' A' ' 89' ' ' THR . . . -142.55 151.11 22.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 104.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 87' ' ' GLY . 40.9 p -126.44 90.54 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.416 ' HA ' ' HD2' ' A' ' 91' ' ' PRO . 14.4 t -126.6 96.83 34.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.635 0.731 . . . . 0.0 110.826 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 90' ' ' SER . 53.1 Cg_endo -69.8 130.68 19.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.6 t -69.21 147.34 51.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.36 157.04 8.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.522 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 169.65 18.39 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m 56.24 42.03 28.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.2 t -116.05 166.82 11.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.493 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -127.58 -49.28 1.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m 58.43 42.04 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.63 56.83 4.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -152.09 135.36 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -59.13 138.52 57.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.76 -61.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -88.67 140.66 29.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.0 mt -95.91 -52.81 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' A' ' 50' ' ' MET . 53.8 tp -45.69 -56.51 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -52.32 -53.47 43.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -46.37 -43.04 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.5 -66.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.614 HG13 ' CE2' ' A' ' 67' ' ' PHE . 94.4 t -41.23 -51.05 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -59.27 -47.49 85.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 -60.73 -35.12 75.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.0 mt -70.47 -48.78 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.3 p -60.43 -35.5 75.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -88.58 -24.8 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 1.2 m-20 -135.98 114.34 10.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HG2' ' NH1' ' A' ' 78' ' ' ARG . 54.2 Cg_endo -69.79 141.48 66.08 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.342 0.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.18 27.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.12 114.73 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' CYS . 1.7 mptt -69.47 -48.9 59.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 3.9 m -37.84 153.3 0.13 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.875 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 3.29 2.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.3 m -125.41 86.55 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 tppp? -54.94 132.88 47.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.61 144.89 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.97 109.33 20.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.1 t -136.42 105.79 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -135.2 156.24 49.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.578 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 14.6 ttm180 -82.0 134.7 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.488 HD13 HD12 ' A' ' 45' ' ' ILE . 13.2 mt -118.15 -47.0 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -141.44 173.42 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -39.45 -50.73 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.63 39.03 2.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.59 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 22.3 ttp180 -133.87 141.0 47.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 19.9 m-85 -150.94 144.07 24.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.458 HH21 HD11 ' A' ' 45' ' ' ILE . 13.4 ttm180 -79.99 120.66 24.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.3 t -121.51 88.71 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 61.98 78.33 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 16.9 pt-20 43.85 33.26 0.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 110.954 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.42 145.88 37.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.488 HD12 HD13 ' A' ' 34' ' ' LEU . 51.6 mm -110.16 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.7 mt -111.5 158.24 19.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.08 98.07 8.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.584 HD12 ' HB2' ' A' ' 39' ' ' TYR . 66.3 mt -90.26 128.33 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 3.1 mmp_? -119.11 172.84 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.515 ' HB2' HD13 ' A' ' 10' ' ' LEU . 7.7 ttt -134.47 117.91 16.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 mt -84.61 112.83 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 48.04 38.42 9.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 44.1 37.74 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -131.66 -33.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -120.98 142.33 49.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.8 t -116.84 103.08 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mtt -109.27 163.22 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.483 HG12 HG12 ' A' ' 48' ' ' ILE . 2.8 m -129.33 157.99 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.534 ' HD3' ' CE2' ' A' ' 64' ' ' TRP . 10.6 tpt180 -97.94 102.44 14.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 63' ' ' GLY . 15.3 m -87.52 -25.17 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.05 -41.23 1.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' H ' HG23 ' A' ' 60' ' ' VAL . . . -126.6 35.72 2.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.65 ' O ' HG22 ' A' ' 60' ' ' VAL . . . 147.48 145.77 4.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.534 ' CE2' ' HD3' ' A' ' 59' ' ' ARG . 61.1 m95 -92.66 118.69 31.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.727 0.299 . . . . 0.0 110.938 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.633 ' OE2' HG11 ' A' ' 60' ' ' VAL . 10.7 pt-20 -110.42 166.48 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 69' ' ' GLY . 32.2 p -74.57 121.6 21.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.189 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.614 ' CE2' HG13 ' A' ' 14' ' ' VAL . 22.8 t80 -38.64 -54.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.77 -38.28 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -65.44 -45.81 88.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.505 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 1.9 t80 -67.61 -35.88 79.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.898 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.3 tp -72.63 -51.99 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 72' ' ' LEU . 1.2 pp -61.81 -38.72 89.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' N ' HD12 ' A' ' 72' ' ' LEU . 31.9 mttt -53.0 -50.62 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -77.25 -43.03 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -69.9 116.4 43.49 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -43.8 2.52 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.716 2.278 . . . . 0.0 112.369 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.8 p -60.42 -28.4 68.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' NH1' ' HG2' ' A' ' 21' ' ' PRO . 95.1 mtt-85 -75.99 -50.36 15.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 82' ' ' ILE . 1.4 mmm -48.68 -27.4 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.6 mt -38.6 -31.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.43 ' C ' HG13 ' A' ' 82' ' ' ILE . 11.2 pt20 -85.2 30.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 79' ' ' MET . 52.2 mt -146.3 138.39 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.704 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.3 m -64.65 120.36 12.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.818 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 83' ' ' SER . 0.3 OUTLIER -33.31 140.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 83' ' ' SER . 79.3 t -142.78 134.74 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 85' ' ' VAL . 0.9 OUTLIER -36.25 149.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.08 129.63 1.15 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -164.63 152.51 11.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.2 m -159.78 143.96 14.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -118.52 121.64 30.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.707 0.765 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.278 . . . . 0.0 112.357 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -91.3 -60.46 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.13 74.62 0.11 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -176.62 1.54 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.25 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.2 p 41.66 42.35 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -79.45 95.12 5.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.196 -0.78 . . . . 0.0 112.47 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -141.21 169.99 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.905 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -152.54 144.85 23.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.75 41.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -43.3 147.38 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m 54.78 38.19 29.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.22 83.93 1.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.87 97.73 7.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 53' ' ' ASN . 9.3 tp -90.09 -63.27 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.539 HD11 HG22 ' A' ' 48' ' ' ILE . 9.9 tp -55.98 -56.93 14.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -39.28 -58.62 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -42.64 -43.91 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.561 ' HB1' ' CG2' ' A' ' 56' ' ' VAL . . . -67.39 -70.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.61 HG13 ' CE2' ' A' ' 67' ' ' PHE . 63.8 t -41.32 -50.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -58.7 -49.9 75.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -57.55 -39.84 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.3 mt -70.0 -47.4 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.5 p -60.48 -33.99 73.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -90.1 -24.08 21.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -136.63 112.99 9.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.637 0.732 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HG2' ' NH1' ' A' ' 78' ' ' ARG . 54.0 Cg_endo -69.74 142.08 68.55 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.337 -0.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.86 31.66 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.92 115.39 4.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' CYS . 27.2 mmtp -63.99 -49.75 71.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.3 m -37.2 147.6 0.22 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.03 3.04 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.264 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.9 m -131.57 108.12 9.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.04 136.43 56.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -52.33 164.15 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -92.24 110.41 21.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.5 t -138.89 105.8 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -137.2 132.49 33.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -69.97 137.01 51.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.575 HD11 HD12 ' A' ' 45' ' ' ILE . 18.4 mt -113.02 -46.46 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -154.12 177.06 11.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -56.87 98.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.2 34.26 9.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.442 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 40.3 ttp180 -147.06 131.4 17.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 15.2 m-85 -141.74 149.72 40.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -87.31 107.77 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.2 t -101.77 110.22 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.33 -106.56 0.96 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -123.89 29.26 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.841 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -144.86 153.19 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.575 HD12 HD11 ' A' ' 34' ' ' LEU . 46.1 mm -104.43 122.93 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 mt -134.23 158.46 43.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.423 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 72.6 m-85 -101.44 106.79 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.72 HG12 HG12 ' A' ' 58' ' ' VAL . 69.5 mt -95.39 129.53 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.547 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 74.6 mtt-85 -126.47 145.94 50.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.463 ' CE ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -106.43 125.22 50.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.467 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 5.3 mp -89.85 107.09 18.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 49.88 35.23 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.547 ' HB2' HD11 ' A' ' 9' ' ' LEU . 13.3 t-20 46.44 37.6 4.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 40.8 tttp -129.1 -38.28 1.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -124.16 122.61 38.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 67' ' ' PHE . 91.6 t -97.87 108.49 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.467 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 5.2 mtp -114.69 166.5 11.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.72 HG12 HG12 ' A' ' 48' ' ' ILE . 6.4 m -132.9 160.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 9.4 tpt180 -95.18 106.26 18.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 60' ' ' VAL . 18.4 m -111.47 78.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.21 -51.05 3.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.95 -33.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.48 -177.84 51.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.581 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 93.9 m95 -136.84 113.45 10.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -112.37 169.86 8.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' GLY . 70.1 p -74.57 118.5 17.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.612 ' HB2' HG12 ' A' ' 56' ' ' VAL . 21.2 t80 -38.06 -53.12 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.06 -37.37 64.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.601 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -64.62 -41.18 97.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.4 t80 -71.82 -34.47 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.928 0.394 . . . . 0.0 110.94 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -70.77 -36.25 72.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.67 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -63.34 -43.57 97.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 6.3 mtpm? -47.61 -53.31 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -76.85 -50.45 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.418 ' OD2' ' NE ' ' A' ' 78' ' ' ARG . 9.4 t0 -61.22 116.95 22.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.248 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.7 p -55.77 -27.41 50.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 80' ' ' LEU . 95.4 mtt-85 -80.17 -41.38 25.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 14.8 mtt -39.98 -25.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 78' ' ' ARG . 20.7 mt -81.79 39.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 82' ' ' ILE . 16.2 mt-30 -130.56 -33.85 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 81' ' ' GLN . 70.5 mt -33.8 122.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.8 p -122.45 -43.79 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -78.62 144.2 35.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.5 m -74.06 -33.72 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -45.95 150.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -160.04 -58.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -70.84 114.6 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 60.8 p -107.9 -46.92 3.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.407 ' HA ' ' HD2' ' A' ' 91' ' ' PRO . 57.9 m -127.81 106.18 20.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.714 0.769 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 90' ' ' SER . 53.8 Cg_endo -69.79 -174.7 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.0 p -99.98 176.36 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.07 -106.46 0.29 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 134.45 28.04 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.246 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.1 p -102.37 152.71 20.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.5 p -132.26 117.39 18.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.463 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 40.37 42.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -106.07 42.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.54 -64.76 3.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -85.48 84.11 7.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.89 0.376 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -162.74 112.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.02 67.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -86.67 112.44 21.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.41 -48.4 27.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 50' ' ' MET . 11.6 tp -42.97 -45.13 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -53.18 -55.27 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -46.3 -49.14 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.7 -61.5 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 10' ' ' LEU . 78.9 t -44.76 -47.8 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -57.76 -48.09 80.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 19' ' ' GLU . 87.7 mtm180 -62.12 -63.07 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.1 mt -43.3 -44.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.2 p -67.52 -31.52 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ARG . 12.4 mt-10 -105.76 25.04 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 4.8 t70 -169.95 104.99 0.45 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.84 146.25 81.83 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.3 0.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 129.58 17.78 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.8 t -54.11 113.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.5 mmtp -61.27 -49.52 76.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' LYS . 8.8 m -36.72 152.07 0.11 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 0.92 4.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.312 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.5 m -140.78 108.7 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.39 167.47 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -72.49 174.29 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.13 107.18 19.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.8 t -137.84 107.5 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.12 122.4 28.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 39' ' ' TYR . 10.9 ttm180 -69.48 111.43 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 40' ' ' ARG . 3.9 mp -85.54 -45.0 12.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m -171.1 -178.02 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -44.23 115.69 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.56 42.75 99.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -147.37 124.35 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 34.0 m-85 -143.37 133.57 24.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.406 ' N ' HD11 ' A' ' 34' ' ' LEU . 30.5 ttm180 -78.33 96.67 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -93.19 116.58 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.88 -109.06 2.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -125.66 26.34 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -143.51 163.51 32.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 mm -109.22 119.76 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.4 mt -124.04 153.36 41.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -98.33 106.41 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.81 HG12 HG12 ' A' ' 58' ' ' VAL . 83.5 mt -93.16 113.88 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -110.89 151.95 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.451 ' HB2' HD13 ' A' ' 10' ' ' LEU . 8.9 ttt -113.24 123.44 50.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 55' ' ' HIS . 20.3 mt -76.65 111.0 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.2 m170 50.05 27.13 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 58.16 33.01 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.519 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 29.0 tttp -122.32 -41.01 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.519 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 5.3 m-70 -119.36 139.97 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.424 HG12 ' HB2' ' A' ' 67' ' ' PHE . 91.4 t -105.28 112.23 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.4 mtp -122.02 165.99 15.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.81 HG12 HG12 ' A' ' 48' ' ' ILE . 3.3 m -128.63 157.06 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -96.63 103.66 15.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.8 HG11 ' OE2' ' A' ' 65' ' ' GLU . 32.9 m -114.4 39.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 62' ' ' GLY . . . 67.17 -83.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.478 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . -37.2 -44.71 1.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 179.79 -150.72 9.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.515 ' CE3' ' C ' ' A' ' 58' ' ' VAL . 85.7 m95 -112.97 136.06 53.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.8 ' OE2' HG11 ' A' ' 60' ' ' VAL . 14.1 pt-20 -132.46 167.26 20.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' GLY . 60.0 p -74.45 117.29 16.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.429 ' CE2' HG13 ' A' ' 14' ' ' VAL . 26.3 t80 -39.75 -57.33 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.74 -32.43 30.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -69.64 -52.3 21.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.425 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.508 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.0 t80 -59.07 -26.83 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.68 -48.34 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.754 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.07 -40.76 74.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.426 ' N ' HD12 ' A' ' 72' ' ' LEU . 21.5 mtpp -48.44 -55.46 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -74.04 -51.83 14.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.421 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 8.8 t0 -60.13 117.62 25.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.45 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.394 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.1 p -54.53 -31.14 55.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' LEU . 87.0 mtt-85 -74.61 -47.99 29.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.94 -24.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 78' ' ' ARG . 29.0 mt -82.74 38.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -108.81 -71.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 6.5 tt -76.01 155.85 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.1 t -93.05 125.24 37.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.36 148.54 50.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 86' ' ' ASP . 8.5 p -93.16 -43.71 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.474 ' N ' HG13 ' A' ' 85' ' ' VAL . 2.9 p30 -115.42 154.84 28.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.65 153.86 24.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.2 pttt -132.9 178.33 6.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.2 m -147.67 147.77 30.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.0 m -136.78 114.97 10.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.69 0.757 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 164.48 34.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.337 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 86.0 p -127.66 152.13 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.59 132.31 11.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' SER . 53.9 Cg_endo -69.74 -5.48 16.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.387 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.2 t -58.66 84.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' PRO . 79.7 p -174.39 171.26 3.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.46 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -61.98 129.48 41.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.812 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -120.81 83.18 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.6 -112.21 0.26 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.9 p -41.21 -66.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -79.52 -48.16 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.95 -131.64 40.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -125.11 95.05 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.8 tp -82.03 -51.87 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.4 tp -48.03 -46.21 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 12' ' ' ASP . 15.5 t0 -53.3 -66.22 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 11' ' ' ASP . 6.3 t70 -34.42 -42.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.07 -59.14 3.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.674 HG13 ' CE2' ' A' ' 67' ' ' PHE . 85.2 t -51.11 -48.37 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -60.97 -47.42 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -59.73 -59.49 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.4 mt -48.63 -45.24 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.2 p -64.43 -33.79 76.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -102.38 27.72 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.3 m-20 -171.52 105.04 0.38 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.5 Cg_endo -69.73 146.22 81.5 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.328 -0.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 129.93 18.38 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.8 t -50.43 119.35 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -70.52 -44.2 68.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -43.07 153.71 0.33 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.83 2.52 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.4 m -138.46 122.2 17.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 29' ' ' PHE . 10.3 tptm -77.19 151.0 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.443 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 3.3 t80 -61.77 178.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -105.2 107.18 18.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.6 t -138.12 109.87 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -136.33 119.17 16.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 33.8 ttp180 -66.87 119.4 11.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.53 HD13 ' HG2' ' A' ' 38' ' ' ARG . 3.5 mp -96.69 -42.39 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.4 m -142.36 178.4 7.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -44.43 -48.51 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.24 45.16 1.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.53 ' HG2' HD13 ' A' ' 34' ' ' LEU . 17.8 ttp180 -142.27 134.87 28.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 33' ' ' ARG . 40.9 m-85 -145.54 134.82 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -78.59 95.22 5.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' LYS . 86.7 t -100.61 136.93 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 35.16 63.17 0.55 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 14.6 pt-20 44.86 37.32 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.382 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.7 mttp -142.3 150.72 41.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.7 mm -101.44 106.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.2 mt -119.66 141.59 49.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -90.2 102.8 15.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.785 HG12 HG12 ' A' ' 58' ' ' VAL . 89.3 mt -90.82 130.69 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -121.02 172.85 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.3 ttt -129.17 107.38 9.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.6 mt -70.66 112.87 7.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.443 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 14.8 m170 49.16 34.92 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 4.8 p-10 47.25 35.41 3.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' CE ' ' HB3' ' A' ' 52' ' ' HIS . 30.0 mtmt -128.15 -38.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -116.27 149.0 39.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -117.58 100.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.5 mmm -108.89 165.79 11.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.785 HG12 HG12 ' A' ' 48' ' ' ILE . 4.7 m -122.77 164.3 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.55 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -108.26 107.87 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 61' ' ' GLY . 10.2 m -107.05 -176.96 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -35.06 -54.46 0.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.449 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -152.28 86.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.38 176.77 14.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.512 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.55 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 61.7 m95 -133.44 126.11 30.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -120.42 171.55 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' GLY . 49.6 p -75.5 117.1 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.674 ' CE2' HG13 ' A' ' 14' ' ' VAL . 26.3 t80 -37.24 -44.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.82 92.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.821 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -61.08 -40.78 99.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.548 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 4.2 t80 -66.07 -34.27 77.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.892 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 tp -70.3 -45.93 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.821 HD23 ' HA2' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -55.48 -39.69 70.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.471 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 70.4 mttt -54.62 -59.12 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -65.64 -50.18 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.431 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 7.6 t0 -70.48 118.64 66.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.724 2.283 . . . . 0.0 112.318 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.8 p -55.47 -21.91 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.431 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 87.0 mtt-85 -78.8 -34.32 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.7 mmt -50.57 -17.71 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.2 mt -77.95 45.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -129.43 -33.52 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 83' ' ' SER . 50.9 mt -141.55 152.89 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 84' ' ' ARG . 2.7 t -80.03 43.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 83' ' ' SER . 20.7 ptt180 32.34 52.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.8 t -83.87 82.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -159.75 170.46 21.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.53 107.26 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.3 147.89 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 84.9 m -126.35 149.56 49.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.427 ' HA ' ' HD2' ' A' ' 91' ' ' PRO . 3.5 t -152.05 111.6 2.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 0.0 110.841 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 90' ' ' SER . 53.7 Cg_endo -69.76 178.5 4.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.6 t -112.24 163.07 14.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -146.73 104.2 0.29 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 161.77 44.66 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 t -124.75 164.78 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 m -119.23 163.08 17.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.495 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -82.32 97.29 8.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.377 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 m -132.74 80.51 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.71 -158.99 29.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -101.39 141.75 33.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 p -101.5 132.02 47.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.47 -47.76 0.89 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.9 m120 51.89 52.66 14.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.26 -42.79 13.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 36' ' ' GLN . 15.6 tp -81.42 -44.18 17.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -52.92 -46.27 67.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -46.81 -47.8 20.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.44 -52.29 58.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.539 HG13 ' CE2' ' A' ' 67' ' ' PHE . 98.0 t -51.96 -49.73 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -67.26 -45.2 77.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 6.9 mtp-105 -57.81 -40.01 78.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.5 mt -69.45 -50.11 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.3 p -61.13 -33.27 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -87.2 -27.51 22.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -134.53 114.92 12.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 140.94 63.54 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.351 0.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 128.27 15.73 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.8 t -57.42 115.38 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' CYS . 30.7 mmtp -62.81 -50.37 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.5 m -36.56 152.49 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.08 6.17 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.306 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.0 m -142.83 105.92 4.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -62.28 160.54 12.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.93 166.17 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 40' ' ' ARG . 3.3 t -84.24 110.04 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 91.3 t -135.35 105.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -126.0 120.73 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.531 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 27.4 ttm180 -64.08 126.88 29.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.7 mt -112.1 -45.86 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.2 m -154.96 175.67 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.569 ' O ' HD23 ' A' ' 10' ' ' LEU . 21.3 pt20 -40.3 -51.91 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.35 41.86 1.81 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.515 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 6.8 ttt180 -144.61 135.02 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 30.2 m-85 -149.54 159.72 44.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 25.5 ttt180 -87.99 111.77 21.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.5 t -115.54 127.03 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.72 53.88 2.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 55.99 37.88 29.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -142.43 147.2 35.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.1 mm -97.7 101.67 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.667 HD22 HG12 ' A' ' 60' ' ' VAL . 25.2 mt -117.66 141.51 48.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -84.14 120.7 26.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.783 HG12 HG12 ' A' ' 58' ' ' VAL . 78.4 mt -107.71 117.54 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -109.08 172.45 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.485 ' HB2' HD13 ' A' ' 10' ' ' LEU . 7.0 ttt -128.06 121.02 28.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 mt -79.43 107.35 12.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 51.21 32.72 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m120 53.28 35.48 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.558 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 22.5 tttp -125.06 -41.94 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.558 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 2.8 m-70 -121.71 150.19 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.5 t -115.93 111.96 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.9 mmm -112.32 165.11 12.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.783 HG12 HG12 ' A' ' 48' ' ' ILE . 4.6 m -125.9 151.87 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.557 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -95.91 106.39 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.667 HG12 HD22 ' A' ' 46' ' ' LEU . 26.1 m -141.95 132.96 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 62' ' ' GLY . . . 33.57 78.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 61' ' ' GLY . . . 30.11 41.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.561 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' GLY . . . -151.46 135.51 5.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.427 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 85.8 m95 -110.88 122.3 47.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -125.83 172.87 9.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 69' ' ' GLY . 71.9 p -74.82 118.49 17.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CE2' HG13 ' A' ' 14' ' ' VAL . 23.5 t80 -36.65 -56.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.66 62.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -66.14 -34.73 89.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.494 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 8.5 t80 -78.95 -24.01 44.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 tp -84.44 -42.75 15.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.71 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -69.49 -41.6 75.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' N ' HD12 ' A' ' 72' ' ' LEU . 12.4 ptmt -59.88 -37.36 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -80.15 -48.7 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 2.2 t70 -72.1 129.76 87.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -55.57 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.305 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.4 p -52.96 -27.25 18.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.446 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 84.2 mtt-85 -75.19 -42.84 54.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.512 ' HA ' ' HE3' ' A' ' 79' ' ' MET . 0.0 OUTLIER -46.28 -27.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.63 78.07 9.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -119.41 -69.95 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.3 mt -132.99 -66.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t -172.7 127.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -169.56 137.36 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 p -142.52 116.47 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -136.64 169.89 16.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.63 116.16 0.7 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 89' ' ' THR . 31.2 tptt -156.97 154.24 29.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.453 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 73.8 p -111.35 173.18 6.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.5 p -41.32 134.37 1.96 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.649 0.738 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -50.82 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 t -175.07 129.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.9 133.92 43.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.75 18.19 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.33 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 98.4 p -109.25 -32.7 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.9 m -110.43 126.46 54.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.481 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t 66.57 42.31 2.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -160.07 143.36 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.5 177.2 16.42 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -157.63 126.45 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -77.54 -45.97 23.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.23 112.14 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -95.63 135.17 37.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.342 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.9 -50.66 10.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.665 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.7 tp -55.36 -60.08 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -39.3 -54.44 1.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -56.64 -53.0 62.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.11 -23.26 63.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' LEU . 98.6 t -81.4 -32.33 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.187 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -79.88 -40.94 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.524 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 11.4 ptm180 -55.75 -47.33 77.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.524 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 60.7 mt -61.51 -47.02 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.0 p -64.13 -25.25 68.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -107.15 26.05 10.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.447 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 33.5 t70 -174.9 105.01 0.26 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.4 Cg_endo -69.76 146.55 82.51 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.314 -0.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 128.96 16.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.4 ' HB3' ' HZ2' ' A' ' 28' ' ' LYS . 39.4 t -51.56 109.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -61.28 -43.99 97.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -42.36 152.95 0.32 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.67 2.65 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.329 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.1 m -143.61 110.68 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HZ2' ' HB3' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -64.96 153.71 39.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -60.38 171.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 t -100.05 108.66 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.0 t -134.09 106.21 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -122.66 141.48 51.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.411 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 58.7 ttt-85 -88.77 126.7 35.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.723 HD11 HD12 ' A' ' 45' ' ' ILE . 19.7 mt -103.59 -48.88 3.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.7 m -164.7 -179.76 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -58.05 95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.44 39.31 4.78 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.613 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.4 tpt180 -159.14 129.82 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.823 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 18.1 m-85 -151.83 151.39 31.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 43' ' ' GLU . 15.2 ttt85 -89.91 104.44 17.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.43 HG11 ' CE1' ' A' ' 70' ' ' TYR . 96.9 t -103.25 110.22 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.8 55.47 27.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 40' ' ' ARG . 39.7 mt-10 56.98 36.84 28.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 110.868 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -143.5 143.28 31.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.723 HD12 HD11 ' A' ' 34' ' ' LEU . 38.3 mm -97.88 103.91 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.414 HD11 ' CZ ' ' A' ' 70' ' ' TYR . 33.9 mt -118.63 137.01 53.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -77.87 121.95 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.771 HG12 HG12 ' A' ' 58' ' ' VAL . 76.0 mt -113.62 123.09 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 6.3 ptm85 -114.92 172.67 6.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.428 ' HB2' HD13 ' A' ' 10' ' ' LEU . 6.3 ttt -131.14 124.54 30.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -88.92 110.07 20.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 53.13 33.51 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 48.96 37.49 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -130.2 -38.93 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -118.02 143.01 46.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.2 t -114.24 100.57 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.4 mtt -102.24 165.82 10.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.771 HG12 HG12 ' A' ' 48' ' ' ILE . 14.2 m -127.96 162.1 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 12.3 tpt180 -105.0 104.31 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.44 HG13 HG23 ' A' ' 58' ' ' VAL . 30.1 m -122.7 158.58 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.52 100.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.31 -40.79 1.51 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.61 -159.41 32.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 73.7 m95 -105.98 142.02 36.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.691 0.281 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -137.63 170.41 16.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 69' ' ' GLY . 59.7 p -75.76 121.21 22.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.438 ' CE2' HG13 ' A' ' 14' ' ' VAL . 28.4 t80 -41.63 -48.57 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.25 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -69.41 -47.09 53.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 1.7 t80 -62.57 -33.87 75.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.929 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 tp -69.79 -47.2 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.788 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -62.06 -38.17 87.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -53.75 -52.64 59.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -74.68 -52.16 12.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.423 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 8.6 t0 -61.54 117.43 27.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.712 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -47.75 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.344 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.7 p -57.22 -35.61 69.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 80.4 mtt-85 -64.04 -46.68 83.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 mmt -39.86 -29.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -78.84 68.33 4.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 82' ' ' ILE . 15.9 mt-30 -124.38 81.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.543 HD12 ' N ' ' A' ' 82' ' ' ILE . 2.7 mp 35.93 54.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 t -154.07 175.62 13.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -103.96 156.5 17.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.1 m -75.14 171.98 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -140.27 158.52 43.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -59.32 -165.95 0.16 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -64.61 144.03 57.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.7 m -121.91 85.66 2.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.2 p -49.62 131.01 19.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.689 0.756 . . . . 0.0 110.811 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 162.97 40.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.232 . . . . 0.0 112.362 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.9 p -79.13 -43.77 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.15 91.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 107.62 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.2 m -118.38 152.11 36.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.9 t -171.77 151.25 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.517 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -153.8 142.33 20.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -140.22 150.0 43.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.24 -157.36 1.0 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 p -118.09 111.37 18.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 p -101.85 -55.29 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.94 84.73 1.3 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' A' ' 10' ' ' LEU . 6.6 t30 -126.66 127.54 45.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.337 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.4 mm? -69.77 -48.96 57.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.454 ' HB3' ' ND2' ' A' ' 8' ' ' ASN . 27.3 tp -42.44 -68.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -41.42 -63.47 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.4 -58.06 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.02 -56.97 7.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.683 HG13 ' CE2' ' A' ' 67' ' ' PHE . 86.9 t -46.64 -38.66 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -67.94 -46.24 72.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -47.27 -58.92 3.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.517 HG21 ' HB2' ' A' ' 68' ' ' ALA . 18.4 mt -54.39 -44.39 66.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 p -65.17 -25.58 67.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -110.4 25.66 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -175.15 104.99 0.26 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 110.86 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.7 Cg_endo -69.79 146.59 82.69 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.65 16.35 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.625 2.217 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.2 t -50.72 111.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.4 mmtm -58.86 -51.98 67.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.4 m -36.41 153.13 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -0.21 6.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.1 t -128.79 139.37 52.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.91 151.24 21.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.73 169.56 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' O ' ' A' ' 40' ' ' ARG . 1.8 t -95.21 109.29 21.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.8 t -139.18 106.12 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -138.35 136.85 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -77.28 122.37 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.696 HD11 HD12 ' A' ' 45' ' ' ILE . 11.4 mt -96.97 -49.0 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.6 m -158.92 178.24 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -50.04 111.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.12 38.35 73.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -147.29 126.32 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -140.01 144.93 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 30' ' ' CYS . 18.5 ttp180 -83.23 102.83 12.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.2 t -99.82 115.97 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.31 -114.16 5.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -119.18 28.27 8.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -144.58 161.05 40.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.696 HD12 HD11 ' A' ' 34' ' ' LEU . 48.3 mm -107.71 126.56 64.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.4 mt -133.35 166.09 23.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -109.66 99.46 8.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.837 HG12 HG12 ' A' ' 58' ' ' VAL . 88.6 mt -89.47 129.19 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -129.93 167.14 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.8 ttt -117.03 95.9 5.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.841 HD21 ' HG3' ' A' ' 57' ' ' MET . 0.1 OUTLIER -67.83 117.08 9.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 60.39 27.86 17.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.5 m120 41.97 29.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -127.06 -33.46 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.483 ' HB2' ' CD1' ' A' ' 51' ' ' LEU . 98.4 m-70 -121.51 135.89 54.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.6 t -104.74 103.72 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.841 ' HG3' HD21 ' A' ' 51' ' ' LEU . 5.5 mtt -111.13 165.89 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.837 HG12 HG12 ' A' ' 48' ' ' ILE . 4.0 m -123.01 162.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.564 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -103.83 101.89 11.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 60' ' ' VAL . 4.4 m -101.92 40.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.43 -80.11 1.45 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.0 60.66 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.9 165.35 13.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.534 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.592 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 62.9 m95 -135.99 121.96 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.51 ' OE2' HG11 ' A' ' 60' ' ' VAL . 10.7 pt-20 -118.6 171.08 8.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 69' ' ' GLY . 43.6 p -75.37 120.41 20.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.683 ' CE2' HG13 ' A' ' 14' ' ' VAL . 40.2 t80 -38.12 -46.9 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' A' ' 17' ' ' ILE . . . -60.04 -37.97 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.507 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -68.79 -35.8 80.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.9 t80 -72.15 -35.93 69.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 0.0 110.945 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.16 -50.14 43.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.625 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.31 -39.12 72.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -51.16 -54.31 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -72.67 -53.94 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 7.5 t0 -57.17 118.21 22.9 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -47.5 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.0 p -57.72 -35.64 70.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.425 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 68.3 mtt-85 -66.42 -42.67 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.6 mtt -40.42 -29.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt -46.68 -45.62 19.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -64.71 170.2 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.1 tp -94.41 133.03 36.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.3 t -163.68 149.69 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -77.62 125.67 29.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 85' ' ' VAL . 7.8 p -125.87 122.85 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -171.14 143.56 1.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.57 157.46 13.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -98.73 126.79 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.6 p -55.4 127.08 27.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.1 m -153.97 151.81 25.48 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.688 0.756 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 171.1 15.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.5 t -149.2 147.72 28.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.31 75.21 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 148.18 64.33 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.645 2.23 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.9 p -169.25 110.72 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.5 t -166.5 171.74 11.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.531 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 t -39.02 -52.89 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -78.47 157.67 28.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.6 44.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 t -84.38 82.49 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.917 0.389 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -140.46 173.61 11.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.96 155.49 33.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -127.75 140.86 51.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.373 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' LEU . 9.0 mp -98.32 -47.62 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.6 tp -37.13 -61.31 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.509 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -41.92 -53.42 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.509 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 7.1 t70 -53.65 -49.38 68.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HA ' ' CD ' ' A' ' 16' ' ' ARG . . . -66.42 -22.23 66.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 10' ' ' LEU . 99.1 t -82.96 -35.38 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -76.06 -38.1 57.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.496 ' CD ' ' HA ' ' A' ' 13' ' ' ALA . 25.8 ptt180 -56.74 -47.67 79.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.483 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 61.0 mt -61.81 -50.04 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 11.0 p -59.72 -31.95 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.39 -25.11 22.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 1.2 t70 -136.08 114.12 10.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.8 140.54 61.29 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.349 0.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 132.81 24.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 15.7 t -58.64 116.04 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 25' ' ' CYS . 41.9 mmtm -65.66 -50.16 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.4 m -35.05 152.65 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.98 3.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.6 m -137.46 127.84 26.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.06 152.27 27.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -64.28 168.9 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.48 107.38 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.1 t -137.42 105.72 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -125.18 148.46 48.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -86.3 121.29 28.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.553 HD13 HD12 ' A' ' 45' ' ' ILE . 19.0 mt -104.34 -47.58 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -148.76 176.36 10.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -41.19 -50.47 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.02 40.31 2.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.48 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 8.7 ttm180 -138.48 136.13 35.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 35.7 m-85 -148.21 149.66 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -89.17 103.9 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -109.34 125.75 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.19 52.78 6.94 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 56.52 41.32 28.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -143.87 151.72 40.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.553 HD12 HD13 ' A' ' 34' ' ' LEU . 27.3 mm -104.76 106.43 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 mt -123.63 152.79 41.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -100.17 103.09 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.756 HG12 HG12 ' A' ' 58' ' ' VAL . 52.6 mt -91.41 133.75 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.165 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.561 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 11.7 ptp180 -124.38 153.12 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.498 ' HE1' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -116.42 117.52 30.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -92.23 127.39 37.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.454 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 11.2 m-70 47.08 29.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 3.2 p-10 46.8 33.13 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 2.4 ptmm? -135.03 -38.38 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.788 ' HB2' HD12 ' A' ' 51' ' ' LEU . 33.6 m-70 -103.23 124.62 48.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.498 HG23 ' HE1' ' A' ' 50' ' ' MET . 93.2 t -107.79 99.64 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.42 ' SD ' HG22 ' A' ' 66' ' ' THR . 7.4 mmm -110.88 166.22 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.756 HG12 HG12 ' A' ' 48' ' ' ILE . 8.8 m -127.51 151.94 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.526 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 3.2 tmm_? -92.89 115.56 28.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 60' ' ' VAL . 17.5 m -125.12 52.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.3 -105.29 2.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.09 50.12 0.82 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.573 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -180.0 146.74 7.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.561 ' CZ3' ' HG2' ' A' ' 49' ' ' ARG . 94.0 m95 -117.7 129.3 55.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.709 0.29 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -127.66 164.75 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' GLY . 39.5 p -75.37 123.25 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.45 ' HB2' HG12 ' A' ' 56' ' ' VAL . 23.4 t80 -38.46 -48.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.41 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -61.34 -43.36 99.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.502 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 6.9 t80 -72.98 -24.5 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.932 0.396 . . . . 0.0 110.934 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.427 HD23 ' CZ ' ' A' ' 78' ' ' ARG . 10.8 tp -85.25 -33.07 22.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.763 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -73.16 -38.72 66.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -59.83 -41.93 92.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -80.86 -47.81 13.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.428 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.9 t0 -70.67 119.21 71.37 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.601 0.715 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 54.1 Cg_endo -69.73 -47.08 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 13.5 p -58.58 -32.11 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.428 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 87.9 mtt-85 -66.89 -45.89 76.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.0 ttt -45.58 -43.73 12.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 79' ' ' MET . 17.7 mt -33.8 -38.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 80' ' ' LEU . 17.0 mt-30 -34.87 113.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.495 HG22 ' N ' ' A' ' 83' ' ' SER . 71.4 mt -44.7 156.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.495 ' N ' HG22 ' A' ' 82' ' ' ILE . 75.6 m 60.46 46.21 9.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -87.23 42.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.7 m -105.89 42.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.68 98.31 5.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.59 142.46 12.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -152.13 158.87 43.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.9 m -148.39 137.92 22.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 t -76.25 136.85 68.52 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.54 4.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.349 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 93' ' ' GLY . 80.7 p -105.41 85.93 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 92' ' ' SER . . . 34.86 89.87 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -18.73 37.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 41.7 t -166.74 127.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.1 m 55.14 43.29 29.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.472 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -78.4 85.44 4.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -112.28 176.68 4.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.12 -155.34 0.86 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.424 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 t 61.17 41.8 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -120.98 85.48 2.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.42 70.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -135.5 137.04 41.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.97 -52.43 65.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 24.4 tp -43.94 -57.83 3.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.58 -58.43 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.27 -40.99 1.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.85 -53.94 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -49.34 -51.03 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -55.12 -47.65 74.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -61.72 -57.46 11.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 mt -47.35 -47.74 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.435 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 62.5 p -67.47 -28.86 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -110.23 29.23 7.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.3 t70 -175.08 105.01 0.26 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.8 Cg_endo -69.79 145.0 78.27 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.356 -0.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.46 17.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.9 t -55.57 125.0 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' CYS . 55.7 mmtt -78.05 -46.97 19.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.6 m -37.51 153.23 0.12 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 3.92 2.52 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.5 m -131.21 119.12 21.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -76.2 150.21 37.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -66.49 158.49 29.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.9 t -89.34 106.91 18.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 71.5 t -136.36 105.25 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -128.17 133.85 48.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -81.15 129.3 34.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.455 ' CD1' HD12 ' A' ' 45' ' ' ILE . 15.5 mt -114.44 -50.72 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.7 m -149.54 174.99 11.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.12 90.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' HA2' HD21 ' A' ' 10' ' ' LEU . . . 111.28 -33.04 6.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.481 ' CZ ' HG21 ' A' ' 45' ' ' ILE . 17.6 ttt180 -79.42 133.59 36.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.822 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.558 ' HB2' HD12 ' A' ' 48' ' ' ILE . 47.7 m-85 -148.43 147.6 29.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 46.1 ttt85 -85.44 107.86 17.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.8 t -116.17 121.87 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . 49.93 59.31 7.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 19.5 pt-20 46.87 38.73 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -144.76 147.75 33.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.481 HG21 ' CZ ' ' A' ' 38' ' ' ARG . 42.0 mm -97.51 115.77 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.0 mt -127.2 142.45 51.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -89.21 97.99 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.558 HD12 ' HB2' ' A' ' 39' ' ' TYR . 79.5 mt -86.79 133.16 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -119.42 172.42 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 10' ' ' LEU . 3.8 ttt -134.22 103.41 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.62 114.62 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 45.75 34.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m120 48.07 36.99 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -126.77 -37.89 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -120.04 149.35 42.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.5 t -115.62 115.86 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.435 ' SD ' HG22 ' A' ' 66' ' ' THR . 21.4 mmm -125.39 156.1 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.428 HG23 HG13 ' A' ' 60' ' ' VAL . 1.0 OUTLIER -117.14 151.05 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.16 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -88.54 134.06 33.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.551 HG11 ' OE2' ' A' ' 65' ' ' GLU . 33.4 m -146.76 130.81 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . 34.04 -91.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 60' ' ' VAL . . . -135.42 52.22 0.8 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -172.92 176.78 45.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 59' ' ' ARG . 65.7 m95 -137.34 124.4 21.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.769 0.318 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.551 ' OE2' HG11 ' A' ' 60' ' ' VAL . 1.4 pm0 -112.3 -173.95 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.435 HG22 ' SD ' ' A' ' 57' ' ' MET . 38.9 p -94.53 111.46 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' THR . 32.0 t80 -35.88 -56.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.99 -50.35 61.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.15 -39.36 97.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.3 t80 -64.62 -31.1 72.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.943 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.9 tp -69.92 -37.38 75.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -64.84 -48.6 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -47.49 -50.54 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -72.14 -57.5 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.436 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 6.0 t0 -69.46 119.55 71.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.74 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -52.04 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.317 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.465 ' O ' HD12 ' A' ' 80' ' ' LEU . 10.0 p -53.88 -35.33 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 50.2 mtt-85 -64.17 -55.06 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.466 ' O ' ' N ' ' A' ' 81' ' ' GLN . 5.3 mmt -39.75 -37.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 77' ' ' CYS . 62.1 mt -33.82 -35.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.651 ' C ' HD12 ' A' ' 82' ' ' ILE . 37.7 mt-30 -33.32 -48.55 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.651 HD12 ' C ' ' A' ' 81' ' ' GLN . 3.7 mp -149.39 138.0 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' ILE . 24.3 p -34.57 124.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 178.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.9 m -149.26 166.1 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -102.87 106.91 17.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -164.04 117.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -137.42 151.86 48.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.7 m -135.57 136.99 41.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' A' ' 91' ' ' PRO . 25.0 m -111.3 104.74 56.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.665 0.745 . . . . 0.0 110.849 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 90' ' ' SER . 53.2 Cg_endo -69.75 -3.14 11.4 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.336 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.0 m 51.92 42.87 30.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -170.97 92.73 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 95' ' ' SER . 53.7 Cg_endo -69.82 1.83 4.12 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 94' ' ' PRO . 74.6 p -36.25 148.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.8 t -111.67 89.83 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.462 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -95.37 152.0 18.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -45.44 -45.64 13.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.32 81.23 1.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -125.51 151.0 46.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 t -143.71 163.32 33.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 132.26 -40.02 1.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 7' ' ' GLY . 5.3 m-20 -35.29 140.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 9' ' ' LEU . 4.0 tt -91.96 -42.82 9.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.652 HD13 ' HB2' ' A' ' 50' ' ' MET . 7.0 tp -44.71 -63.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.54 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -34.56 -55.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.54 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 12.6 t0 -60.46 -47.26 86.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.492 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . . . -63.64 -23.52 67.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 10' ' ' LEU . 96.2 t -81.43 -36.0 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -75.37 -40.14 58.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 7.6 ptp180 -56.47 -48.01 78.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.527 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 68.9 mt -58.46 -39.57 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.451 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 13.1 p -72.89 -21.82 60.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -111.55 24.02 13.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 20.8 m-20 -174.05 105.44 0.29 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.77 144.54 76.94 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.314 0.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.05 16.95 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.234 . . . . 0.0 112.383 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.0 t -56.0 113.98 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' CYS . 12.1 mmtp -71.19 -46.41 61.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.8 m -35.7 153.55 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.88 2.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.727 2.284 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 m -140.08 121.57 15.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -76.2 162.38 28.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -75.31 174.66 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.19 107.47 19.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.6 t -137.35 105.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -130.2 154.78 47.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -95.27 128.81 42.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.455 HD13 HD12 ' A' ' 45' ' ' ILE . 7.0 mt -116.25 -44.36 2.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.1 m -156.0 168.94 25.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -53.81 101.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.14 -15.88 61.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -96.39 133.76 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -151.31 146.55 26.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -79.77 123.85 28.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -127.44 118.57 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.05 47.98 19.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 61.92 39.53 13.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -143.8 145.04 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.455 HD12 HD13 ' A' ' 34' ' ' LEU . 49.1 mm -98.04 105.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.8 mt -118.87 158.78 25.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -102.42 102.33 12.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.775 HG12 HG12 ' A' ' 58' ' ' VAL . 80.1 mt -89.92 114.18 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -107.54 170.71 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.652 ' HB2' HD13 ' A' ' 10' ' ' LEU . 6.8 ttt -131.34 118.22 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.412 HD12 ' HB2' ' A' ' 55' ' ' HIS . 12.9 mt -79.49 109.48 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 54.39 30.71 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 51.85 36.66 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -128.09 -41.61 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.412 ' HB2' HD12 ' A' ' 51' ' ' LEU . 19.2 m-70 -116.09 139.12 50.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.19 111.37 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 mtp -115.34 165.91 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.775 HG12 HG12 ' A' ' 48' ' ' ILE . 5.2 m -127.96 155.32 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.555 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -101.21 105.21 16.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.475 HG13 HG23 ' A' ' 58' ' ' VAL . 33.3 m -123.1 166.69 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.11 102.35 0.41 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.46 -36.11 2.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.98 -145.49 9.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.555 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 38.9 m95 -129.31 135.6 48.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -128.13 178.15 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 69' ' ' GLY . 53.2 p -83.7 119.48 24.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.18 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -39.14 -52.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.95 67.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -73.05 -35.99 57.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.519 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 3.7 t80 -74.77 -26.46 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.921 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.7 tp -84.28 -43.13 15.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.763 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -66.25 -41.02 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.499 ' N ' HD12 ' A' ' 72' ' ' LEU . 10.2 ptpt -62.75 -33.36 74.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 10.9 m80 -81.85 -47.61 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 2.2 t0 -77.57 127.54 82.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.719 . . . . 0.0 110.842 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -54.65 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.437 ' O ' HD12 ' A' ' 80' ' ' LEU . 3.2 p -52.5 -35.83 53.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 18' ' ' SER . 64.0 mtt-85 -62.95 -48.55 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.4 mtp -41.25 -28.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 77' ' ' CYS . 29.0 mt -42.23 -34.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -83.02 36.47 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.3 mm -131.67 104.7 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.5 p -62.07 -43.95 97.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -151.79 130.23 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 86' ' ' ASP . 10.6 p -111.09 153.5 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.414 ' N ' HG22 ' A' ' 85' ' ' VAL . 8.5 m-20 -81.44 -47.43 13.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.43 125.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.476 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -151.9 148.32 27.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.357 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.8 m -72.92 134.88 44.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 t -122.15 88.14 48.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.706 0.765 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 106.49 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.324 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 t -155.14 146.65 23.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.69 144.78 9.93 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.58 45.36 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 t -71.16 94.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 p -139.52 176.85 8.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.518 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 t -83.96 47.43 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -76.32 -52.82 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.0 130.22 4.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -85.67 150.12 24.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.371 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m 55.27 41.18 31.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.43 -114.88 3.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 46.28 45.13 13.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.26 -39.43 86.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 14' ' ' VAL . 19.7 tp -53.89 -52.14 61.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.88 -48.92 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.26 -43.8 98.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.02 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.558 HG13 ' CE2' ' A' ' 67' ' ' PHE . 87.6 t -58.86 -43.22 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -64.18 -45.86 86.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -65.4 -58.25 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mt -48.74 -50.5 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.6 p -57.85 -32.39 67.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -104.99 28.39 7.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 31.4 t0 -173.78 105.06 0.3 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.567 0.699 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.8 Cg_endo -69.75 146.08 81.16 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.377 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 131.66 21.76 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 39.7 t -56.41 107.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -64.62 -42.68 95.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.0 m -39.67 152.61 0.2 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 2.65 3.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.1 m -143.96 108.26 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -65.41 160.09 22.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -72.32 172.36 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.49 113.67 25.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.9 t -138.21 105.72 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -124.93 137.32 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 5.1 tmm_? -85.17 122.61 29.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 45' ' ' ILE . 14.3 mt -108.34 -50.7 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -142.34 176.62 8.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -40.53 -57.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 48' ' ' ILE . . . -117.58 41.23 2.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.485 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 18.5 ttp180 -138.78 128.46 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.332 . . . . 0.0 110.896 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 24.9 m-85 -146.74 160.3 42.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' NH1' ' HA ' ' A' ' 43' ' ' GLU . 11.9 ttm-85 -92.99 111.76 23.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.0 t -115.01 114.12 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 51.74 52.0 36.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HA ' ' NH1' ' A' ' 40' ' ' ARG . 4.6 tt0 59.23 39.6 22.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.959 0.409 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -142.79 153.5 43.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.417 HD12 ' CD1' ' A' ' 34' ' ' LEU . 50.4 mm -105.67 107.65 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.4 mt -116.91 159.7 22.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -104.61 99.77 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.698 HG12 HG12 ' A' ' 58' ' ' VAL . 41.4 mt -93.19 135.23 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.55 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 35.1 ptt180 -131.21 165.55 23.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.7 ttt -122.66 114.35 20.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.07 105.28 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 56.56 32.89 21.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.7 m120 48.93 37.84 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -130.1 -37.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -118.79 148.07 43.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 67' ' ' PHE . 95.2 t -112.96 113.55 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.3 mmm -124.41 165.7 17.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.698 HG12 HG12 ' A' ' 48' ' ' ILE . 3.8 m -130.19 164.63 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.57 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 12.4 tpt180 -104.69 108.04 19.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.493 HG21 ' OE1' ' A' ' 65' ' ' GLU . 35.9 m -111.87 39.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 46.06 89.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.0 -44.24 1.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.78 172.38 37.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 85.8 m95 -110.08 130.8 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.493 ' OE1' HG21 ' A' ' 60' ' ' VAL . 4.6 pt-20 -124.07 167.94 13.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 69.7 p -75.04 117.17 16.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.558 ' CE2' HG13 ' A' ' 14' ' ' VAL . 30.2 t80 -35.84 -54.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.35 -39.07 63.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.591 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -61.7 -45.17 96.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.2 t80 -67.22 -32.96 74.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 tp -69.32 -44.48 71.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.591 HD23 ' HA2' ' A' ' 69' ' ' GLY . 0.4 OUTLIER -60.21 -40.37 89.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.974 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 31.7 mttm -49.0 -53.02 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -77.18 -48.23 18.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 10.3 t0 -66.25 116.42 33.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.561 0.696 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.09 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.354 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.6 p -54.82 -27.0 38.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 75.8 mtt-85 -75.52 -41.42 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.9 mmt -42.35 -38.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 81' ' ' GLN . 76.3 mt -37.84 -36.64 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 80' ' ' LEU . 13.0 mm-40 -34.32 132.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.7 mt -52.34 -46.13 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.0 t -38.67 122.6 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -42.44 164.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.72 147.81 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -123.76 160.42 27.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.09 138.41 7.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -149.98 173.98 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.866 0.365 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.9 m -74.17 94.92 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.585 ' CB ' ' CD ' ' A' ' 91' ' ' PRO . 0.6 OUTLIER -81.86 -67.16 0.22 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.693 0.758 . . . . 0.0 110.826 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 90' ' ' SER . 54.1 Cg_endo -69.76 125.67 12.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.6 p -174.31 106.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.59 117.72 0.56 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -178.31 2.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.9 t -165.4 138.24 4.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.6 t -160.09 155.32 25.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.484 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t 55.18 42.34 30.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 p -147.25 143.09 27.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.18 -48.28 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -62.98 -52.55 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.88 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 m -47.6 139.87 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.49 95.0 1.71 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -85.88 89.2 7.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -96.87 -59.51 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 14' ' ' VAL . 19.5 tp -36.05 -57.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -41.18 -54.65 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.532 ' N ' ' CG ' ' A' ' 11' ' ' ASP . 6.2 t70 -48.95 -53.17 20.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' HA ' ' CD ' ' A' ' 16' ' ' ARG . . . -62.62 -24.63 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.07 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 10' ' ' LEU . 83.7 t -79.98 -34.03 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -79.52 -44.34 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 50.1 ptt85 -51.85 -51.11 58.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.52 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 66.7 mt -56.73 -46.97 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 p -62.89 -22.22 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -111.27 25.16 12.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.9 t0 -174.57 105.0 0.27 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.2 Cg_endo -69.75 144.45 76.64 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.297 0.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 131.05 20.43 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.393 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.5 t -58.32 120.98 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 25' ' ' CYS . 61.0 mmtt -73.72 -48.61 30.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LYS . 6.6 m -35.93 151.32 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 110.947 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.56 3.45 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.8 m -137.62 109.11 6.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -62.64 168.81 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -79.9 170.9 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.2 t -90.82 107.79 19.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.9 t -138.68 105.69 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -136.44 123.35 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 -73.68 132.29 42.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 45' ' ' ILE . 6.4 mt -110.56 -44.94 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.0 m -159.88 -175.44 5.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.69 106.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.74 30.63 31.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.54 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 17.9 ttm180 -145.6 127.59 15.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 43.3 m-85 -146.66 149.31 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -82.98 114.94 21.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' LYS . 90.7 t -116.81 127.26 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 38.67 51.02 2.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 60.67 38.62 18.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.394 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.7 mttm -141.23 154.59 45.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.442 HD12 ' CD1' ' A' ' 34' ' ' LEU . 46.4 mm -105.23 100.88 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.9 mt -114.36 154.55 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -102.29 99.63 9.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.739 HG12 HG12 ' A' ' 58' ' ' VAL . 44.0 mt -92.61 121.09 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.581 ' NH1' HD23 ' A' ' 51' ' ' LEU . 3.5 ttp85 -121.32 157.51 30.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.504 ' N ' ' HG3' ' A' ' 49' ' ' ARG . 6.0 ttt -107.74 135.43 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.581 HD23 ' NH1' ' A' ' 49' ' ' ARG . 14.4 mt -91.84 102.98 15.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 57.44 36.62 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 22.7 t-20 46.34 40.31 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -134.09 -34.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.498 ' HB2' HD12 ' A' ' 51' ' ' LEU . 20.2 m-70 -123.48 149.67 44.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.5 t -118.18 103.6 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.4 mmm -113.84 165.06 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.739 HG12 HG12 ' A' ' 48' ' ' ILE . 3.0 m -121.7 143.06 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 2.1 tmt_? -94.05 115.51 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 63' ' ' GLY . 5.1 m -116.12 21.68 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.47 ' HA2' ' CZ ' ' A' ' 59' ' ' ARG . . . 94.99 85.31 1.67 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.54 -36.87 2.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.448 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -104.61 144.85 15.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 44.5 m95 -126.94 136.61 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.736 0.303 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -131.81 170.34 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' GLY . 61.8 p -76.68 119.17 20.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.142 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -41.38 -51.48 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.26 -32.57 64.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -71.43 -48.12 31.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.53 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 5.4 t80 -63.11 -24.17 67.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 tp -84.89 -50.65 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.662 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -57.13 -33.21 67.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -68.92 -39.43 79.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.487 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 13.5 m80 -75.04 -48.14 25.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -79.99 129.16 71.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.565 0.697 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -55.9 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 p -51.95 -28.03 15.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.5 mtt-85 -71.82 -38.02 70.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 36.4 mtp -44.7 -38.28 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.7 mt -41.03 -42.48 1.94 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -38.01 145.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.6 92.9 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 t -167.53 157.97 11.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -97.78 168.7 10.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.2 t -89.01 -53.48 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.5 t70 58.38 43.71 19.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -117.52 118.6 4.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -170.65 119.57 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.347 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.3 t -164.17 139.5 5.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.2 t -49.03 139.75 12.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.63 0.729 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 174.8 8.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.1 p -167.56 148.72 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -179.1 73.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -173.68 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 t -95.23 116.27 28.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.9 p -124.61 158.72 32.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.082 -0.843 . . . . 0.0 112.476 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -162.0 155.11 20.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 0.0 110.829 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 m -97.85 83.42 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.7 -121.47 3.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -102.12 81.42 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.838 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -108.51 84.55 1.95 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.63 126.48 3.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -108.39 162.47 14.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 9' ' ' LEU . 3.7 mm? -91.26 -43.12 10.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.729 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.6 tp -57.23 -56.45 21.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.85 -50.18 27.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -63.89 -43.97 94.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.467 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . . . -67.03 -23.8 65.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 10' ' ' LEU . 99.2 t -83.15 -39.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -72.86 -35.73 67.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 9.7 ptp180 -60.99 -46.38 90.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.589 HG21 ' HB2' ' A' ' 68' ' ' ALA . 73.7 mt -62.52 -42.7 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 p -70.54 -15.16 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -115.82 24.22 11.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 3.0 m-20 -174.15 105.03 0.28 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.588 0.709 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.7 Cg_endo -69.75 145.98 80.89 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.326 0.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 127.0 13.97 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.0 t -52.53 121.37 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' CYS . 41.6 mttt -80.78 -42.62 21.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.3 m -38.1 153.53 0.14 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.98 2.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 2.28 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.2 m -140.1 117.64 11.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 141.34 51.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -53.31 165.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.4 t -92.17 108.46 19.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 40' ' ' ARG . 82.5 t -136.4 105.92 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -126.82 132.62 50.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.579 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -83.4 122.03 27.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 45' ' ' ILE . 22.0 mt -107.52 -45.91 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -144.18 174.48 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.433 ' O ' HD23 ' A' ' 10' ' ' LEU . 10.5 mm100 -44.87 -48.3 11.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.59 40.01 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.534 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 41.5 ttp180 -141.08 136.1 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 33' ' ' ARG . 55.9 m-85 -154.65 152.17 29.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 34.5 ttm180 -84.51 127.59 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.85 119.5 45.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.84 51.97 17.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 59.16 40.24 21.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -144.16 155.69 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 34' ' ' LEU . 39.3 mm -107.4 99.55 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.4 mt -110.1 147.22 34.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -94.66 103.47 15.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.778 HG12 HG12 ' A' ' 58' ' ' VAL . 70.1 mt -96.5 134.52 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -129.15 167.33 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.4 ttt -124.59 121.72 35.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 57' ' ' MET . 5.5 mp -79.01 103.59 9.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 55.27 33.14 20.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 51.06 38.85 21.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -127.38 -36.76 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -123.26 150.41 43.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.42 102.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.473 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 6.4 mtp -111.66 165.69 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.778 HG12 HG12 ' A' ' 48' ' ' ILE . 4.8 m -127.73 163.01 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.554 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -107.72 105.16 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 61' ' ' GLY . 31.2 m -129.69 139.25 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' VAL . . . -36.16 105.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.8 -42.42 1.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 172.31 -149.99 12.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.554 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 49.8 m95 -126.8 131.31 51.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.749 0.309 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -124.57 175.49 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' GLY . 72.8 p -79.4 114.23 18.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 14' ' ' VAL . 29.0 t80 -35.45 -56.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.589 ' HB2' HG21 ' A' ' 17' ' ' ILE . . . -52.81 -39.32 62.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.74 ' HA2' HD23 ' A' ' 72' ' ' LEU . . . -64.35 -41.29 98.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.6 t80 -68.88 -33.62 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.888 0.375 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.2 tp -72.04 -46.89 55.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.74 HD23 ' HA2' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -56.07 -40.27 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.42 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 36.8 mtpt -62.22 -63.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -53.63 -43.76 69.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 3.2 t0 -77.69 124.55 86.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.411 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 53.7 Cg_endo -69.72 -55.3 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.25 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 9.0 p -51.87 -36.48 48.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.425 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 64.8 mtt-85 -65.88 -41.73 91.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 81' ' ' GLN . 4.3 ttt -48.35 -43.07 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 81' ' ' GLN . 46.1 mt -35.12 -31.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 79' ' ' MET . 74.5 mt-30 -32.81 -71.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.3 mt -130.93 -43.87 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.4 t 40.5 53.38 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -68.48 -52.04 36.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -114.75 177.86 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -80.97 45.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 55.65 -109.63 1.5 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 89' ' ' THR . 9.3 tmtt? -164.08 147.06 9.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 88' ' ' LYS . 24.2 m -33.93 141.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.9 t -114.15 92.49 26.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 101.4 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.725 2.283 . . . . 0.0 112.312 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -53.44 112.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.56 142.73 16.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 109.01 2.19 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.0 t -163.12 119.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -142.37 153.72 44.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.504 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -111.44 116.83 31.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -159.82 159.1 32.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.89 -171.54 12.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.438 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -135.8 174.95 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.2 p -92.03 42.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.76 140.82 5.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.89 81.94 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.87 -50.97 13.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.463 HD13 ' HG2' ' A' ' 50' ' ' MET . 64.7 tp -44.74 -57.64 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.23 -52.08 62.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -50.02 -47.4 53.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.42 -62.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 10' ' ' LEU . 67.4 t -44.76 -45.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -64.14 -35.34 80.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -74.83 -61.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.412 HG21 ' HB2' ' A' ' 68' ' ' ALA . 79.0 mt -47.42 -38.5 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.417 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 54.5 p -71.87 -31.87 66.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -104.7 32.17 4.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 9.2 t0 -174.77 105.16 0.27 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.552 0.691 . . . . 0.0 110.832 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.7 Cg_endo -69.7 145.26 78.8 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.331 -0.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.21 22.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.619 2.213 . . . . 0.0 112.375 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.466 ' HB3' ' CD ' ' A' ' 28' ' ' LYS . 23.3 t -55.26 121.06 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' CYS . 45.1 mmtm -73.28 -46.23 51.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' LYS . 5.7 m -36.58 152.16 0.1 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.665 0.745 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 1.82 4.08 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 m -134.93 89.6 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' CD ' ' HB3' ' A' ' 23' ' ' CYS . 20.1 tptp -50.5 139.26 16.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.63 158.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -92.12 107.44 19.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.7 t -133.17 107.05 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 4.9 tp10 -126.01 150.89 47.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 5.4 tmm_? -95.46 124.08 39.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.5 ' CD1' HD12 ' A' ' 45' ' ' ILE . 15.2 mt -108.58 -50.27 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' GLY . 2.0 m -147.36 172.34 14.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.418 ' CD ' ' H ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -58.99 78.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' SER . . . 125.64 -28.73 4.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -86.82 130.53 34.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.466 ' HB2' HD12 ' A' ' 48' ' ' ILE . 80.8 m-85 -146.02 145.11 30.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -81.67 120.53 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.7 t -125.0 108.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.1 48.87 70.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 60.79 36.28 19.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -143.43 136.67 27.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' A' ' 34' ' ' LEU . 45.6 mm -89.21 111.77 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.9 mt -122.59 136.83 54.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -82.17 104.59 12.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.472 HG12 HG12 ' A' ' 58' ' ' VAL . 97.0 mt -92.92 121.27 43.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.581 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 13.2 ptm180 -120.26 167.93 11.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.463 ' HG2' HD13 ' A' ' 10' ' ' LEU . 1.6 mmt -116.91 143.9 45.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 51' ' ' LEU . 15.2 mt -102.26 95.0 6.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.1 m170 61.19 25.48 15.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 24.6 t30 59.4 35.47 23.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.472 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 32.6 tttt -127.69 -40.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.472 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 2.1 m-70 -122.09 149.08 44.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -108.6 108.62 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 mtt -107.83 165.78 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.547 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 3.6 m -134.5 166.55 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.515 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 9.4 tpt180 -106.42 117.73 34.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.464 HG21 ' OE2' ' A' ' 65' ' ' GLU . 31.3 m -146.29 142.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.29 95.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.452 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 60' ' ' VAL . . . 145.07 -36.39 1.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.445 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.53 -133.13 3.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.581 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 76.4 m95 -134.33 127.8 32.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.721 0.296 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.464 ' OE2' HG21 ' A' ' 60' ' ' VAL . 10.6 pt-20 -124.07 170.29 10.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 69' ' ' GLY . 49.7 p -74.48 115.59 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' THR . 26.9 t80 -35.17 -63.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 17' ' ' ILE . . . -47.59 -36.16 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -68.14 -40.6 88.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.7 t80 -70.41 -35.85 73.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 0.0 110.934 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.49 -51.8 57.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.66 -34.64 67.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -59.35 -61.05 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -64.62 -49.38 71.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.41 ' CG ' ' HG3' ' A' ' 78' ' ' ARG . 9.5 t0 -63.16 117.01 29.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.461 ' O ' HD12 ' A' ' 80' ' ' LEU . 15.4 p -54.42 -31.03 54.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 18' ' ' SER . 93.0 mtt-85 -71.23 -46.15 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.44 ' HA ' ' HE3' ' A' ' 79' ' ' MET . 0.0 OUTLIER -40.49 -27.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 77' ' ' CYS . 37.9 mt -53.28 -45.45 68.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -47.18 150.58 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.582 ' H ' HD12 ' A' ' 82' ' ' ILE . 5.1 mp -69.78 127.44 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.1 m -76.67 128.8 35.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -137.16 164.0 29.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.6 m -143.96 165.54 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -90.2 -56.68 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 168.96 -152.36 19.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.441 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -132.32 96.19 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.4 m -149.92 118.5 6.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.7 m -45.45 134.23 5.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 134.48 28.1 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.632 2.221 . . . . 0.0 112.366 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 p -68.62 107.3 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.35 154.53 0.35 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 142.52 47.79 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 m -94.88 133.75 38.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.7 p -117.75 175.93 5.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.513 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -153.48 113.19 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 p -76.43 98.77 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.57 -44.8 70.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 m -127.07 153.02 46.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.381 . . . . 0.0 110.857 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m 57.97 44.01 20.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.07 -36.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -107.96 103.56 12.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.826 0.346 . . . . 0.0 110.847 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 53' ' ' ASN . 6.4 tp -97.71 -63.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.87 -62.22 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -42.06 -48.49 4.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.11 -43.08 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.94 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.457 HG13 ' CE2' ' A' ' 67' ' ' PHE . 88.2 t -41.81 -51.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -47.24 80.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 mtp85 -53.72 -46.77 70.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.9 mt -70.17 -46.48 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p -60.68 -25.58 66.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' O ' ' CA ' ' A' ' 22' ' ' PRO . 11.9 mm-40 -100.52 -21.35 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -134.56 114.46 12.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.562 0.696 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 140.45 60.53 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.382 0.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.406 ' CA ' ' O ' ' A' ' 19' ' ' GLU . 53.6 Cg_endo -69.79 130.75 19.85 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.1 t -54.42 120.39 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' CYS . 32.6 mmtp -67.39 -48.49 67.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LYS . 15.2 m -34.94 152.27 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.85 3.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.7 m -137.41 108.98 6.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.44 139.94 58.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CD2' HD11 ' A' ' 71' ' ' LEU . 3.8 t80 -49.62 173.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -97.75 109.49 22.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -138.94 107.14 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -131.42 128.85 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -74.63 128.48 35.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 mt -115.2 -45.43 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 t -154.27 170.75 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -58.43 94.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' ILE . . . 110.94 -28.11 10.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.53 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.457 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 15.5 ttp180 -90.16 137.49 32.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 61.1 m-85 -151.7 142.64 23.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -81.13 99.18 8.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.536 ' HB ' HD12 ' A' ' 46' ' ' LEU . 44.2 t -110.98 133.84 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' LYS . . . 39.95 70.49 0.35 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' GLY . 16.1 pt-20 37.55 28.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.923 0.392 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLY . 39.4 mttp -133.97 154.58 51.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.0 mm -105.77 105.27 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.536 HD12 ' HB ' ' A' ' 41' ' ' VAL . 6.1 mt -118.01 151.09 38.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -99.64 99.89 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.738 HG12 HG12 ' A' ' 58' ' ' VAL . 51.4 mt -83.15 133.23 29.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -126.01 169.05 13.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.0 ttt -127.72 120.24 27.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.461 HD12 ' HB2' ' A' ' 55' ' ' HIS . 21.2 mt -86.54 111.04 20.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 18.8 m-70 49.71 35.71 9.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 1.1 p-10 47.23 34.88 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -128.05 -34.41 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB2' HD12 ' A' ' 51' ' ' LEU . 20.2 m-70 -122.27 147.11 46.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.92 102.83 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.6 mmm -108.03 165.69 11.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.738 HG12 HG12 ' A' ' 48' ' ' ILE . 13.6 m -127.33 152.8 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.54 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 7.4 tpp180 -82.12 116.05 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.522 HG23 HG23 ' A' ' 58' ' ' VAL . 72.0 t -138.92 114.44 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 41.4 -119.76 1.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.432 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.82 42.15 2.0 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -175.52 133.98 2.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.54 ' CH2' ' HB2' ' A' ' 59' ' ' ARG . 40.6 m95 -94.16 133.91 37.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.724 0.297 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -118.47 167.57 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' GLY . 67.4 p -75.3 121.06 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.457 ' CE2' HG13 ' A' ' 14' ' ' VAL . 17.6 t80 -35.19 -67.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.43 -32.72 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -71.85 -36.44 61.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 3.3 t80 -75.82 -35.23 60.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 29' ' ' PHE . 11.6 tp -69.82 -41.91 74.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -63.89 -35.61 81.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -54.26 -53.69 50.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -76.18 -43.02 44.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.23 117.52 53.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.7 p -54.37 -29.2 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -78.02 -42.74 31.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.56 -47.61 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' H ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -109.21 50.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.497 ' HG3' HG22 ' A' ' 82' ' ' ILE . 25.6 pt20 -76.41 -44.48 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.497 HG22 ' HG3' ' A' ' 81' ' ' GLN . 1.3 tp -123.63 82.01 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.2 t -174.29 131.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -8.75 59.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.4 p -155.21 127.65 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -117.4 172.86 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.94 -53.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.2 tttp 49.16 42.88 22.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.0 m -101.38 113.54 26.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.4 p -140.68 140.21 21.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.648 0.737 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 92' ' ' SER . 53.9 Cg_endo -69.73 -12.13 32.31 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 91' ' ' PRO . 28.3 t -34.18 124.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -108.62 91.25 0.65 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 148.32 64.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.354 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.0 t -113.12 147.91 36.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 t -87.99 157.59 18.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.442 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p -172.23 126.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.89 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -83.38 42.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.1 -104.48 3.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -156.24 174.12 15.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.382 . . . . 0.0 110.843 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -119.13 -60.35 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.26 87.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -104.76 89.03 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.752 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -99.02 -6.76 27.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.617 HD11 HG22 ' A' ' 48' ' ' ILE . 5.9 tp -82.61 -36.2 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.6 -27.2 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.7 -52.9 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -62.52 -49.12 76.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.072 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 10' ' ' LEU . 92.1 t -58.42 -47.32 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -60.36 -44.76 95.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -66.31 -60.63 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.3 mt -49.43 -50.23 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.5 p -56.11 -36.12 67.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -105.77 31.46 5.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 10.7 t70 -174.52 105.03 0.27 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 53.6 Cg_endo -69.76 145.7 80.14 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.324 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 132.05 22.43 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.1 t -54.23 114.04 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' CYS . 33.6 mttt -71.45 -46.94 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' LYS . 4.4 m -36.75 154.82 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.8 2.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.8 t -131.79 141.7 49.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.18 143.84 26.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -65.59 162.43 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.27 106.86 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.8 t -139.25 107.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 6.6 tp10 -130.82 152.26 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 18.3 ttt85 -92.42 130.69 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' CD1' HD12 ' A' ' 45' ' ' ILE . 8.6 mt -115.14 -46.75 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.6 m -145.72 177.7 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -38.99 -58.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.5 43.31 1.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.516 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 12.1 ttm180 -136.91 136.83 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.894 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CD1' ' C ' ' A' ' 38' ' ' ARG . 39.0 m-85 -150.54 151.77 33.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -89.11 102.11 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.7 t -110.27 130.6 63.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' GLU . . . 40.41 71.42 0.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.504 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLY . 1.6 tm-20 36.56 37.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.958 0.409 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -144.85 150.35 36.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.436 HD12 ' CD1' ' A' ' 34' ' ' LEU . 50.5 mm -101.62 112.11 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 45' ' ' ILE . 24.1 mt -127.6 138.94 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -84.57 106.71 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.617 HG22 HD11 ' A' ' 10' ' ' LEU . 69.2 mt -95.66 120.43 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.439 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 35.2 mmm-85 -118.4 150.69 39.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.421 ' HE3' ' N ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -108.09 116.1 31.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.9 mt -74.61 108.68 7.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 46.89 31.6 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.8 t30 51.98 36.78 19.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 23.1 tttt -128.05 -41.49 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 1.6 m-70 -122.28 126.87 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.554 HG21 ' HB1' ' A' ' 13' ' ' ALA . 42.6 t -94.85 115.4 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.8 mmm -120.89 165.98 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.586 ' O ' ' CE3' ' A' ' 64' ' ' TRP . 11.6 m -125.14 165.92 21.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -103.16 109.53 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 63' ' ' GLY . 26.1 m -119.7 39.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.89 65.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.6 -32.83 2.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.428 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.762 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -89.81 129.22 9.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.586 ' CE3' ' O ' ' A' ' 58' ' ' VAL . 96.0 m95 -105.64 117.53 34.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.709 0.29 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -115.5 169.63 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -74.27 119.58 18.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -45.25 -49.28 12.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.79 -28.1 54.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.15 -47.62 17.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 2.6 t80 -65.9 -26.87 67.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.98 0.419 . . . . 0.0 110.969 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.0 tp -82.03 -38.37 25.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -71.5 -42.5 67.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.578 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.7 ptpt -54.61 -36.73 64.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 17.1 m80 -87.89 -50.64 6.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' HD2' ' A' ' 76' ' ' PRO . 12.2 t0 -63.18 117.11 30.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.409 ' HD2' ' OD1' ' A' ' 75' ' ' ASP . 54.3 Cg_endo -69.7 -34.53 14.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.26 . . . . 0.0 112.385 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.5 p -70.76 -19.78 62.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -87.38 -40.7 14.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mmm -49.71 -21.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.8 mt -80.6 42.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.427 ' C ' HG13 ' A' ' 82' ' ' ILE . 22.2 mt-30 -101.84 -39.87 7.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 83' ' ' SER . 95.7 mt -151.22 144.46 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 82' ' ' ILE . 89.5 p -32.78 122.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -60.43 126.54 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t -97.69 -45.19 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.43 172.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -96.67 -126.02 5.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.436 ' NZ ' ' HA ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -132.78 91.18 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.2 m -149.7 105.95 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.5 m -138.68 136.31 18.63 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.674 0.749 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.17 8.85 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.6 p -59.34 163.08 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.26 89.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 118.74 5.86 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.6 p -154.02 114.42 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.788 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 97' ' ' GLY . 68.2 p -123.74 -44.2 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 96' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_