data_6ofa_residue ############################ # Computer software used # ############################ 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 6ofa _Structure_validation_residue.Date_analyzed 2019-08-23 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 120.816 0.341 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -65.9 -36.42 83.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.511 178.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.97 81.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.271 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -63.7 -34.61 78.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.266 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.4 -43.53 94.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.361 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.4 t -64.41 -49.46 71.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.36 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.513 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 63.5 m-85 -67.47 -23.31 65.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.721 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.575 ' O ' HG21 ' A' ' 15' ' ' VAL . 42.6 tt0 -82.3 -54.07 5.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.696 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.502 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -70.17 -23.15 62.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -172.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 p -59.5 -51.78 68.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.745 0.307 . . . . 0.0 110.558 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -79.7 -28.84 40.61 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.146 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.575 HG21 ' O ' ' A' ' 11' ' ' GLU . 78.7 t -61.26 -41.96 91.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.55 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.0 m120 -71.13 -76.87 0.1 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.55 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 81.7 tttt 172.45 87.29 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.681 0.613 . . . . 0.0 110.545 166.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -141.73 145.29 36.36 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 118.47 0.577 . . . . 0.0 109.521 172.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.69 152.43 69.28 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 123.04 2.494 . . . . 0.0 111.97 172.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -56.19 -44.37 79.36 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.544 0.211 . . . . 0.0 111.337 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.99 -38.06 87.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.031 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -68.62 -36.29 78.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.117 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.513 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 44.8 t -61.69 -47.22 86.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -61.57 -34.73 76.09 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.064 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.85 -38.64 89.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.008 0.432 . . . . 0.0 110.806 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.467 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 40.7 ttp -85.69 -43.33 13.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.783 -177.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.3 m -82.08 -20.12 38.81 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -172.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.646 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.7 p -58.92 -46.45 99.53 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.646 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 71.5 Cg_exo -54.36 -37.34 88.92 Favored 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 121.925 1.75 . . . . 0.0 112.529 177.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -68.96 -57.6 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.281 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.552 -173.101 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.593 0.235 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -65.27 -42.21 93.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.269 0.557 . . . . 0.0 110.197 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.73 91.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.472 176.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -63.81 -35.29 80.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.151 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.64 -40.72 97.89 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.419 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.07 -47.42 82.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.661 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.7 m-85 -69.48 -24.49 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.5 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.515 ' O ' HG22 ' A' ' 15' ' ' VAL . 10.8 tp10 -69.11 -64.08 0.94 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.14 0.495 . . . . 0.0 110.242 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.519 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -71.14 -23.65 62.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.442 -169.819 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 28.5 p -61.43 -51.94 66.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 110.203 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.421 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.8 t-20 -72.8 -27.96 62.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 11' ' ' GLU . 60.1 t -66.68 -38.08 80.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.669 0.271 . . . . 0.0 110.737 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -73.86 -76.64 0.13 Allowed 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.855 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.1 pttp 174.91 85.35 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.786 0.679 . . . . 0.0 110.213 172.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -146.1 143.14 18.67 Favored Pre-proline 0 C--O 1.236 0.388 0 O-C-N 121.561 -0.712 . . . . 0.0 109.788 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.91 153.44 75.75 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.806 2.337 . . . . 0.0 111.384 170.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.83 -42.23 79.27 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.2 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.481 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.9 p30 -59.98 -40.74 90.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.643 0.259 . . . . 0.0 110.406 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -63.48 -40.6 97.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.965 0.412 . . . . 0.0 110.166 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.661 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 22.2 t -62.53 -44.38 96.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -57.9 -37.86 74.78 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.171 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 98.6 mt-30 -68.39 -36.17 78.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.827 0.346 . . . . 0.0 110.707 -174.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.0 ttp -85.6 -37.11 19.9 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.655 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.8 m -84.65 -20.56 31.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.602 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 17.8 p -61.94 -44.69 90.82 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.602 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 58.2 Cg_exo -57.95 -23.43 59.81 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 121.935 1.757 . . . . 0.0 112.674 174.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.32 -63.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.836 -175.198 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 4' ' ' GLN . 15.0 mm-40 . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -68.73 -38.8 80.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.211 0.529 . . . . 0.0 109.965 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.3 -43.08 87.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.171 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -63.02 -35.47 80.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.319 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.41 -42.58 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.36 -50.39 73.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.46 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 52.8 m-85 -66.63 -35.68 80.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.522 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 15' ' ' VAL . 8.6 tp10 -65.4 -50.11 66.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.654 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.417 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 17.2 mm100 -64.01 -21.88 66.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.435 -177.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.487 ' HB3' HG23 ' A' ' 18' ' ' VAL . 61.2 m -57.94 -51.43 69.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.294 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.25 -28.5 38.44 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.985 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.417 ' HB ' ' HA ' ' A' ' 12' ' ' GLN . 55.3 t -57.45 -48.06 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.289 0.368 . . . . 0.0 110.42 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.0 m120 -80.34 -80.56 0.13 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.829 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 64.1 tttp 170.36 87.79 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.44 0.696 . . . . 0.0 110.287 168.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.487 HG23 ' HB3' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -137.52 144.94 47.07 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 119.372 0.987 . . . . 0.0 110.04 174.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.426 ' O ' HG22 ' A' ' 18' ' ' VAL . 24.3 Cg_exo -63.8 150.32 88.7 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.629 2.219 . . . . 0.0 111.334 172.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -58.76 -41.26 86.14 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -61.6 -37.61 84.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.671 0.272 . . . . 0.0 110.484 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -65.24 -43.13 92.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.291 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.4 t -63.08 -42.93 99.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.2 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -60.8 -32.14 71.49 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.42 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -71.07 -30.88 67.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.0 ttp -90.61 -48.01 7.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.985 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.0 m -82.6 -23.31 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -171.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.496 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 19.6 t -63.19 -49.47 80.06 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.762 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.496 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 60.9 Cg_exo -57.64 -14.98 18.84 Favored 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 122.05 1.833 . . . . 0.0 113.159 176.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tt -85.02 -58.43 2.7 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.475 -175.212 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.453 ' NE2' ' H ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 111.788 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -76.92 -34.54 57.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.143 0.497 . . . . 0.0 110.275 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.37 90.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.822 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -62.57 -34.2 76.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.799 178.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 85.6 t80 -67.0 -40.94 87.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.348 175.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.2 t -59.31 -47.51 85.13 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.407 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 59.2 m-85 -71.45 -29.61 65.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.841 -178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.54 -53.15 17.26 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.637 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.469 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.34 -19.49 46.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -169.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.7 p -57.28 -55.44 34.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.601 0.239 . . . . 0.0 111.048 -175.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -69.54 -28.97 66.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.655 0.264 . . . . 0.0 110.919 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.7 t -68.79 -39.26 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.398 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 14.7 m120 -67.87 -75.98 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 44.8 mttt 174.87 85.03 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.836 0.855 . . . . 0.0 109.993 171.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 m -149.16 142.72 16.26 Favored Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 118.528 0.604 . . . . 0.0 110.062 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -65.38 155.53 68.21 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.085 2.523 . . . . 0.0 111.463 168.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -55.76 -44.17 77.4 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.318 0.508 . . . . 0.0 111.785 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -60.14 -38.06 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.745 0.307 . . . . 0.0 111.068 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -64.61 -40.09 94.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.061 0.457 . . . . 0.0 110.012 173.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 35.9 t -61.41 -46.91 88.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.118 0.485 . . . . 0.0 109.708 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -63.26 -40.84 98.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.45 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.03 -24.27 60.7 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.866 -172.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.3 ttp -87.95 -44.0 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.599 0.238 . . . . 0.0 111.227 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.91 -24.68 30.65 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.652 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 35.7 p -62.44 -46.82 89.87 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.652 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -60.55 -14.24 29.8 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 122.068 1.845 . . . . 0.0 112.886 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.0 tp -87.31 -58.09 2.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.322 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.077 -174.837 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.432 0.158 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -63.46 -27.58 69.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.118 0.485 . . . . 0.0 110.479 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.08 88.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.86 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.44 -36.93 81.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.752 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -66.85 -43.4 83.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.275 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -56.5 -49.77 73.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.863 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.526 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.1 m-85 -68.85 -43.41 75.5 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.781 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.57 -38.5 91.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.998 -175.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -79.1 -18.27 53.61 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.656 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.3 m -55.05 -60.5 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.464 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.446 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.1 OUTLIER -70.72 -26.71 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.048 -178.616 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.72 -45.13 99.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.493 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 11.9 m120 -79.33 -77.08 0.18 Allowed 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.781 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.603 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 176.46 84.05 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.21 0.604 . . . . 0.0 110.296 170.364 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -161.61 127.67 2.36 Favored Pre-proline 0 C--O 1.235 0.332 0 O-C-N 121.315 -0.865 . . . . 0.0 110.353 175.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 34.6 Cg_exo -60.72 152.11 71.73 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.334 2.689 . . . . 0.0 112.503 176.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -55.44 -43.17 75.13 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -177.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -61.79 -42.39 98.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 111.334 -177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -69.28 -34.61 74.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.846 0.355 . . . . 0.0 110.375 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.1 t -64.22 -38.03 89.61 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' A' ' 28' ' ' SER . 23.0 t80 -56.99 -35.47 69.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.175 176.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -69.69 -30.48 68.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 35.6 ttp -91.33 -53.93 4.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 37.3 m -77.82 -26.07 49.29 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 33.4 m -62.99 -50.66 75.74 Favored Pre-proline 0 CA--C 1.534 0.354 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.24 -39.46 62.12 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.962 1.775 . . . . 0.0 112.493 174.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 16.2 tp -56.44 -56.13 25.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.099 175.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.98 -173.84 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -76.19 -42.84 44.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.165 0.507 . . . . 0.0 109.933 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.66 86.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.337 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.87 -37.17 83.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -65.7 -43.52 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.6 t -62.87 -51.26 67.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.539 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.1 m-85 -67.74 -30.72 70.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.194 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -72.18 -49.45 35.47 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.483 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.85 -23.45 39.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -173.77 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -58.77 -56.5 21.41 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.922 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.617 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -72.03 -26.4 62.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 178.745 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.617 ' N ' HD21 ' A' ' 14' ' ' ASN . 49.8 t -67.6 -38.58 80.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.422 0.153 . . . . 0.0 110.778 177.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -68.27 -75.17 0.11 Allowed 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.215 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 88.6 tttt 174.38 85.4 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 O-C-N 123.794 0.683 . . . . 0.0 109.885 167.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -147.1 145.29 21.64 Favored Pre-proline 0 C--O 1.236 0.367 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.306 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' O ' HG21 ' A' ' 18' ' ' VAL . 24.5 Cg_exo -64.25 149.17 90.75 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.893 2.395 . . . . 0.0 111.034 170.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -58.74 -39.8 81.95 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.639 0.257 . . . . 0.0 111.185 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -61.31 -34.67 75.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.862 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.405 ' NE2' ' HD2' ' A' ' 19' ' ' PRO . 7.0 tt0 -73.31 -37.78 66.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.503 175.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 26.6 t -59.34 -39.61 83.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -65.97 -17.63 64.81 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.541 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -81.43 -40.53 23.23 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.889 -0.507 . . . . 0.0 110.004 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.2 ttp -87.72 -42.87 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.181 -175.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.8 m -83.13 -16.44 46.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.658 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 30.2 p -61.76 -46.99 93.14 Favored Pre-proline 0 CA--C 1.543 0.678 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.658 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 51.3 Cg_exo -58.41 -21.65 54.65 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.894 1.73 . . . . 0.0 112.791 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 tt -80.72 -56.81 3.89 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.279 -175.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.469 HE21 ' HA ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.567 0.222 . . . . 0.0 111.122 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.78 -43.64 98.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.108 0.48 . . . . 0.0 110.474 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.77 86.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.554 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -64.73 -38.15 90.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.072 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -64.34 -43.09 95.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.359 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.0 t -58.92 -46.98 86.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.954 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.555 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.3 m-85 -72.03 -38.31 69.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.016 -178.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 15' ' ' VAL . 31.6 tt0 -65.22 -45.15 85.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.527 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.521 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -68.09 -21.43 64.97 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.214 -176.78 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.422 ' CA ' HG13 ' A' ' 18' ' ' VAL . 49.6 m -59.31 -52.14 66.93 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.131 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -77.25 -28.55 53.61 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.939 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 11' ' ' GLU . 73.2 t -62.37 -45.47 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.253 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 77.9 m-20 -81.74 -77.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.286 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 56.3 tttm 172.88 86.94 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 O-C-N 123.452 0.47 . . . . 0.0 110.54 170.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.422 HG13 ' CA ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -159.38 130.94 3.99 Favored Pre-proline 0 N--CA 1.466 0.352 0 O-C-N 121.709 -0.619 . . . . 0.0 110.637 176.059 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.64 152.15 64.63 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.659 2.906 . . . . 0.0 112.765 177.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.33 -39.6 83.64 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.726 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -65.11 -42.24 94.14 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.236 -0.186 . . . . 0.0 111.091 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -70.15 -36.07 74.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 110.304 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.555 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 12.1 t -60.62 -41.99 95.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -57.92 -35.46 71.1 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.218 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -66.12 -35.24 79.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.151 0.5 . . . . 0.0 110.211 -175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.408 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 34.3 ttp -90.15 -43.63 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.071 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.5 m -81.96 -16.09 51.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -174.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.668 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.8 p -58.47 -49.82 91.42 Favored Pre-proline 0 CA--C 1.541 0.635 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.783 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.668 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 73.2 Cg_exo -54.89 -29.2 62.45 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 122.028 1.819 . . . . 0.0 112.984 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -70.67 -54.16 12.94 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.658 -173.636 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.578 HE21 ' HA ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 120.439 0.161 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.15 -31.77 72.81 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.228 0.537 . . . . 0.0 109.931 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.13 -44.63 71.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.176 174.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -61.32 -38.2 86.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.239 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -61.43 -38.67 87.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.213 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.7 t -63.13 -49.09 75.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.13 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.626 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.4 m-85 -72.22 -22.98 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.005 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.9 tm-20 -81.96 -51.42 8.08 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -78.05 -19.84 53.51 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 p -59.45 -53.93 52.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.678 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -73.33 -28.76 62.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.017 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 11' ' ' GLU . 53.5 t -62.63 -40.78 89.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.648 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.485 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.4 m120 -68.69 -75.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.6 tttt 174.44 86.38 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.582 0.552 . . . . 0.0 110.081 167.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -145.5 145.32 25.61 Favored Pre-proline 0 C--O 1.235 0.307 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 173.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.37 154.51 73.31 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.77 2.313 . . . . 0.0 111.653 171.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -55.3 -44.56 75.85 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 117.557 0.162 . . . . 0.0 111.373 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.573 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.9 p-10 -59.4 -39.99 85.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.756 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -65.38 -41.03 94.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.992 0.425 . . . . 0.0 110.428 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.626 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.0 t -60.61 -42.95 97.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.246 0.546 . . . . 0.0 109.531 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -63.54 -28.71 70.13 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.59 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 75.0 mt-30 -73.03 -37.15 67.02 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.747 -175.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 56.7 mtm -86.06 -41.87 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.721 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.8 m -84.17 -12.22 55.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -173.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.662 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.8 p -62.5 -50.26 79.6 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.662 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.7 Cg_exo -58.64 -21.94 58.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 121.645 1.563 . . . . 0.0 112.363 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -80.85 -63.47 1.4 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.609 -173.755 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 . . . . . 0 C--O 1.231 0.08 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.49 -37.91 77.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.39 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.62 -43.61 76.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.054 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -62.64 -31.5 72.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.026 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.449 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 63.7 t80 -67.35 -41.54 85.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.442 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.53 -46.79 88.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.193 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.568 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 85.2 m-85 -74.4 -24.07 59.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.904 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.488 ' O ' HG21 ' A' ' 15' ' ' VAL . 5.8 pt-20 -76.57 -47.67 21.75 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.611 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.529 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -75.69 -26.03 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.226 -0.296 . . . . 0.0 111.573 -172.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 p -59.81 -55.19 37.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.475 0.179 . . . . 0.0 110.974 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.62 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -73.36 -26.55 61.06 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.612 179.087 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.62 ' N ' HD21 ' A' ' 14' ' ' ASN . 36.9 t -62.63 -42.37 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 11.6 m120 -70.93 -76.4 0.1 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.714 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.58 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.34 85.22 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 O-C-N 123.792 0.683 . . . . 0.0 110.078 168.8 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -144.56 142.32 19.09 Favored Pre-proline 0 C--O 1.235 0.29 0 O-C-N 120.843 -1.161 . . . . 0.0 110.365 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.72 154.99 72.54 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.846 2.364 . . . . 0.0 111.161 169.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.18 -42.56 66.32 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.123 0.419 . . . . 0.0 111.586 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.528 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 6.6 p-10 -58.71 -40.5 83.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.52 0.2 . . . . 0.0 110.582 -178.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -65.67 -40.89 92.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.795 0.331 . . . . 0.0 110.525 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.568 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.6 t -61.43 -43.86 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.14 -30.69 71.21 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.595 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 21.9 mm-40 -70.28 -38.45 75.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.978 0.418 . . . . 0.0 110.733 -176.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.9 ttp -82.93 -39.53 21.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.741 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.1 m -86.12 -14.73 43.33 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -174.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.676 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 4.6 p -59.13 -51.19 83.48 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.676 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.9 Cg_exo -61.9 -12.8 27.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 121.99 1.794 . . . . 0.0 112.95 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -91.68 -65.69 0.99 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.271 0.557 . . . . 0.0 109.584 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.91 -170.705 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 120.878 0.371 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 13.2 mm-40 -71.27 -40.26 71.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.004 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.26 86.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.812 0.339 . . . . 0.0 110.246 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -62.37 -39.48 93.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.012 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.525 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 55.4 t80 -66.5 -37.72 85.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.235 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.57 -50.58 73.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.663 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -78.31 -26.64 47.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.379 -175.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' A' ' 8' ' ' TYR . 10.5 pt-20 -74.18 -46.6 41.09 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.843 -178.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.528 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -79.83 -24.54 41.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -173.527 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.462 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.9 p -58.26 -53.58 56.72 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.059 -0.257 . . . . 0.0 111.126 -174.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.91 -28.79 61.71 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.639 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.1 t -66.32 -40.48 86.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 0.0 110.402 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 90.0 m-20 -70.08 -73.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 54.6 tttm 176.69 84.5 0.01 OUTLIER 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.355 0.409 . . . . 0.0 110.937 169.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.512 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -150.6 143.0 16.0 Favored Pre-proline 0 C--O 1.235 0.312 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.577 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.8 Cg_exo -65.99 148.22 85.49 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.472 2.115 . . . . 0.0 110.935 171.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.74 -42.08 74.87 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.23 0.468 . . . . 0.0 111.272 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -56.33 -44.1 79.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.995 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.512 ' OE1' ' HB ' ' A' ' 18' ' ' VAL . 35.8 tt0 -64.43 -38.08 89.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.228 177.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.8 t -63.26 -45.36 91.85 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.91 -40.19 94.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -66.19 -32.0 73.17 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.838 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.5 ttp -90.03 -41.36 11.75 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -92.45 -9.23 42.27 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -172.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.597 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.3 p -58.69 -43.73 98.19 Favored Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.597 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.5 Cg_exo -59.63 -11.16 13.4 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 121.863 1.709 . . . . 0.0 113.271 175.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -89.3 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.574 -175.035 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -73.34 -26.87 61.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.09 0.471 . . . . 0.0 110.588 -177.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.4 95.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.613 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -64.68 -32.12 73.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.179 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -64.35 -45.31 88.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.127 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -60.79 -49.94 75.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.315 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.646 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.5 m-85 -70.36 -29.11 65.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.888 -178.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.2 tt0 -75.61 -52.78 9.78 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.813 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -76.59 -21.72 55.21 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -171.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.48 ' O ' HG12 ' A' ' 18' ' ' VAL . 31.7 p -60.04 -55.0 39.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.005 0.431 . . . . 0.0 110.163 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.43 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 4.5 t-20 -70.58 -28.95 65.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.632 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 11' ' ' GLU . 48.0 t -66.44 -44.33 90.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.75 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 15.2 m120 -65.37 -74.69 0.1 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 60.1 tttp 175.25 84.66 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 O-C-N 123.588 0.555 . . . . 0.0 110.469 166.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER -145.21 141.85 17.63 Favored Pre-proline 0 C--O 1.235 0.341 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 172.596 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -68.51 155.31 69.46 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.08 2.52 . . . . 0.0 111.757 170.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -51.59 -43.3 62.43 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.09 -39.87 87.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.37 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -69.07 -36.47 77.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.953 0.406 . . . . 0.0 110.102 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.646 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.5 t -62.41 -43.55 98.55 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -59.89 -36.04 76.1 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.212 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -65.54 -36.25 83.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 0.0 110.81 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.432 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 42.7 ttp -86.93 -42.4 13.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.708 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.9 m -84.64 -18.11 36.45 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -173.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.629 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 58.7 p -62.56 -44.27 86.55 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.629 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 78.2 Cg_exo -56.11 -20.68 31.79 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 121.962 1.775 . . . . 0.0 112.566 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 tt -90.71 -63.33 1.29 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.055 -170.628 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.658 0.266 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.45 -32.71 74.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 110.156 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.26 99.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.636 176.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -65.08 -34.43 78.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.044 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -65.12 -45.11 86.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.075 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.3 t -56.78 -52.36 65.33 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.537 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.659 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m-85 -70.82 -19.29 62.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.005 -176.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' O ' HG22 ' A' ' 15' ' ' VAL . 39.5 tt0 -79.61 -50.53 10.53 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.641 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -80.56 -22.06 41.13 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -171.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.402 ' O ' HG12 ' A' ' 18' ' ' VAL . 26.9 p -60.29 -54.37 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.198 -0.201 . . . . 0.0 111.123 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -71.72 -28.57 63.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.571 0.224 . . . . 0.0 111.355 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 11' ' ' GLU . 55.7 t -64.01 -35.61 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.739 0.304 . . . . 0.0 110.26 176.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.2 m120 -75.33 -73.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 57.2 tttp 176.25 83.87 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.484 0.49 . . . . 0.0 110.372 170.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -152.47 142.7 15.15 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 172.58 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.429 ' O ' HG22 ' A' ' 18' ' ' VAL . 15.7 Cg_exo -68.82 154.73 70.57 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.762 2.308 . . . . 0.0 111.786 170.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -51.0 -46.09 61.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 117.723 0.238 . . . . 0.0 111.325 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.9 p30 -59.06 -41.37 87.77 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.205 -178.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -67.81 -35.41 78.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.868 0.366 . . . . 0.0 110.519 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.659 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 12.1 t -63.12 -41.38 99.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.28 -33.24 75.09 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.501 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 27.6 mt-30 -65.2 -36.04 82.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.054 0.454 . . . . 0.0 110.419 -175.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.5 ttp -82.85 -48.02 11.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.094 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.27 7.51 40.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -172.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.62 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.0 p -54.57 -46.22 99.28 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-O 119.068 -0.492 . . . . 0.0 112.301 172.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.62 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 53.2 Cg_exo -61.03 -14.6 34.12 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.871 1.714 . . . . 0.0 112.94 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tt -91.29 -60.53 1.87 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.467 -174.483 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 CA--C 1.523 -0.073 0 CA-C-O 120.426 0.155 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.44 -34.27 77.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.956 0.408 . . . . 0.0 110.507 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.29 -43.96 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.213 174.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.481 ' HZ3' ' HB3' ' A' ' 11' ' ' GLU . 26.6 tptp -59.38 -39.36 83.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.366 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.428 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 53.0 t80 -66.44 -38.84 88.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.747 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.62 -45.25 94.72 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.305 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 70.3 m-85 -74.33 -40.13 62.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.364 -176.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.482 ' O ' HG21 ' A' ' 15' ' ' VAL . 12.8 pt-20 -71.62 -36.34 70.75 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.38 -176.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.405 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -67.47 -23.32 65.49 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.172 177.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.425 ' O ' HG13 ' A' ' 18' ' ' VAL . 51.0 m -57.39 -54.36 47.68 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.88 176.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -72.63 -27.81 62.36 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.957 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 11' ' ' GLU . 72.6 t -65.9 -37.74 80.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.527 176.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.6 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 13.8 m120 -81.32 -77.42 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.962 178.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 31.7 mttm 172.96 85.77 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.339 1.056 . . . . 0.0 109.961 169.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -160.27 129.81 3.29 Favored Pre-proline 0 CA--C 1.537 0.451 0 O-C-N 121.898 -0.501 . . . . 0.0 110.929 177.505 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 25.9 Cg_exo -63.23 151.59 84.08 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.392 2.728 . . . . 0.0 112.59 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -54.15 -45.53 72.04 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -174.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -60.78 -38.52 85.58 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.693 0.282 . . . . 0.0 111.296 -176.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -71.95 -36.36 69.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.319 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 30.8 t -62.12 -39.82 93.8 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.98 -29.39 65.19 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.6 177.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -75.16 -27.84 59.85 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.551 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 43.7 ttp -90.74 -46.1 8.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.865 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.7 m -84.41 -2.2 56.78 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.62 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 2.7 p -58.99 -49.88 90.95 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.62 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.0 Cg_exo -58.22 -16.59 28.62 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 121.839 1.693 . . . . 0.0 112.658 177.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -90.55 -64.38 1.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.896 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.011 -172.29 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.136 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -77.49 -28.46 52.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.335 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.64 89.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.507 176.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.24 -35.21 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.638 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -66.9 -41.66 86.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.031 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.8 t -61.12 -48.69 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.203 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -72.17 -22.25 61.32 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -87.89 -43.49 11.76 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.514 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -81.79 -17.9 45.99 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -175.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.1 p -56.54 -55.32 35.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -70.62 -28.18 64.64 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.498 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.3 t -65.27 -40.5 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.743 0.306 . . . . 0.0 110.659 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -69.04 -74.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.552 ' O ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.93 85.29 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.898 0.749 . . . . 0.0 110.322 169.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -149.69 144.2 17.54 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 121.278 -0.889 . . . . 0.0 109.763 173.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -68.4 154.92 70.88 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.906 2.404 . . . . 0.0 111.484 168.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -51.66 -45.53 63.43 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.871 0.305 . . . . 0.0 111.555 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 5.5 p-10 -59.16 -39.93 84.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.699 0.285 . . . . 0.0 111.027 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -66.57 -37.85 85.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.85 0.357 . . . . 0.0 110.468 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.0 t -59.85 -44.76 93.94 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.94 -40.93 95.16 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.249 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 51.2 mt-30 -62.31 -39.37 92.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.809 0.338 . . . . 0.0 111.108 -174.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.9 ttp -83.19 -45.83 13.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.898 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.9 m -86.26 -15.82 39.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -172.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.67 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 38.9 p -62.97 -47.2 87.07 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.67 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 53.0 Cg_exo -60.46 -15.22 34.66 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 121.946 1.764 . . . . 0.0 112.788 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.56 -59.08 2.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.055 -174.472 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.473 HE21 ' HA ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 120.679 0.276 . . . . 0.0 111.588 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.62 -29.22 69.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.797 0.332 . . . . 0.0 110.965 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.13 -32.92 74.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.693 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -61.04 -32.09 71.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.072 177.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.482 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 80.3 t80 -67.59 -36.23 80.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.432 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.462 ' SG ' ' HE3' ' A' ' 26' ' ' MET . 17.3 t -62.97 -50.71 69.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.948 0.404 . . . . 0.0 110.05 174.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.507 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 46.1 m-85 -65.26 -26.49 68.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.023 -176.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 15' ' ' VAL . 10.6 pt-20 -78.88 -50.4 11.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.54 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.439 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -73.06 -25.78 61.04 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -174.615 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -59.53 -47.61 84.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.909 0.385 . . . . 0.0 110.336 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -74.55 -28.96 61.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 178.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.7 t -68.19 -40.61 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.682 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.426 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 12.2 m120 -70.51 -76.39 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 20.5 mttm 173.27 85.89 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.829 0.852 . . . . 0.0 110.36 168.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -143.15 143.63 25.45 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.75 153.63 71.14 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.63 2.22 . . . . 0.0 111.171 171.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.07 -43.17 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.749 0.249 . . . . 0.0 110.949 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -57.58 -40.75 79.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.646 0.26 . . . . 0.0 110.915 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -65.7 -41.76 91.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.521 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.2 t -60.53 -43.55 97.04 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.81 -45.75 92.51 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.352 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -64.86 -31.3 72.46 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.36 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.462 ' HE3' ' SG ' ' A' ' 9' ' ' CYS . 37.0 ttp -78.35 -50.3 12.01 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.585 -177.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.7 m -107.16 5.63 27.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -171.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.687 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.8 p -59.58 -47.13 98.4 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.235 170.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.687 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 32.2 Cg_exo -63.94 -15.11 47.24 Favored 'Trans proline' 0 C--N 1.364 1.346 0 C-N-CA 121.971 1.781 . . . . 0.0 112.836 174.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.3 -56.28 4.69 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.629 -174.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 N--CA 1.461 0.121 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.48 -38.68 81.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.33 0.586 . . . . 0.0 110.242 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.19 -39.63 75.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.184 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -64.13 -36.55 84.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.266 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.46 -40.5 96.83 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.172 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t -63.97 -50.49 68.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.362 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.602 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m-85 -64.32 -24.19 67.56 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.884 0.373 . . . . 0.0 111.445 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 15' ' ' VAL . 9.3 tp10 -73.41 -62.48 1.46 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.12 0.486 . . . . 0.0 110.185 176.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -72.64 -20.12 61.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -171.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 31.9 p -59.17 -60.98 3.0 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.416 -174.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.441 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -70.77 -27.89 64.26 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.901 -0.319 . . . . 0.0 111.131 178.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 11' ' ' GLU . 41.4 t -58.6 -43.06 86.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 O-C-N 123.138 0.274 . . . . 0.0 110.57 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -70.26 -74.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 17' ' ' LYS . 22.6 pttp 176.68 84.47 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.646 0.591 . . . . 0.0 110.786 169.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -146.2 141.13 16.14 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 121.565 -0.71 . . . . 0.0 109.523 173.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.66 155.18 70.42 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.946 2.431 . . . . 0.0 111.362 169.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -52.41 -44.05 65.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 117.952 0.342 . . . . 0.0 111.636 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -59.55 -39.85 85.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.718 0.294 . . . . 0.0 110.711 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.27 -39.27 89.31 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.822 0.344 . . . . 0.0 110.211 176.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.602 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 34.9 t -60.76 -44.9 96.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -59.89 -40.71 89.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -68.98 -27.48 65.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.521 -173.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.2 ttp -90.33 -47.57 7.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.706 0.289 . . . . 0.0 111.39 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.0 m -77.11 -26.85 53.75 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.555 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 47.2 t -64.9 -54.55 34.15 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 120.211 -0.595 . . . . 0.0 111.451 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 55.6 Cg_exo -57.66 -21.35 46.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.116 1.877 . . . . 0.0 112.968 175.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.6 -57.21 5.46 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.269 -177.007 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.587 0.232 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -65.19 -31.21 72.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.124 0.487 . . . . 0.0 110.264 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.68 85.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.586 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -65.3 -32.52 74.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.775 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -64.48 -41.16 96.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.182 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 t -60.99 -48.57 81.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.869 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.514 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.2 m-85 -68.63 -29.28 67.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.99 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 15' ' ' VAL . 34.8 tt0 -72.56 -48.8 37.1 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.59 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.547 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.78 -25.24 38.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -171.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.464 ' O ' HG12 ' A' ' 18' ' ' VAL . 31.4 p -56.73 -56.36 22.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.608 0.242 . . . . 0.0 110.989 -175.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.665 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -71.76 -27.05 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.665 ' N ' HD21 ' A' ' 14' ' ' ASN . 49.8 t -66.2 -36.74 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.625 0.25 . . . . 0.0 110.462 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 10.8 m120 -72.45 -75.58 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.587 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER 176.95 84.96 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 O-C-N 123.647 0.592 . . . . 0.0 110.5 168.708 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER -147.09 140.77 15.24 Favored Pre-proline 0 C--O 1.235 0.298 0 O-C-N 121.076 -1.015 . . . . 0.0 109.662 173.603 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.76 153.1 79.6 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.951 2.434 . . . . 0.0 111.743 172.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -54.67 -45.63 73.9 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.587 0.218 . . . . 0.0 111.587 -175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.92 -36.13 76.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.179 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.51 -40.35 73.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.783 0.325 . . . . 0.0 110.296 175.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 28.9 t -61.08 -43.25 99.17 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -60.2 -37.83 81.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.27 177.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -72.17 -28.48 63.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.1 ttp -90.37 -47.75 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.8 m -83.11 -20.57 34.59 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -172.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.495 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 27.8 t -62.22 -52.93 63.18 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 121.828 -0.545 . . . . 0.0 111.982 178.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 78.2 Cg_exo -56.02 -21.57 34.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 122.204 1.936 . . . . 0.0 113.101 175.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -75.01 -50.13 17.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 177.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.694 -173.602 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.306 0.098 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -68.29 -33.39 74.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.329 -178.679 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 5' ' ' GLN . . . -67.36 -37.14 82.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.227 175.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -66.18 -29.9 70.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.835 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.475 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 74.6 t80 -66.71 -42.54 86.22 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.189 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.479 ' SG ' ' HE3' ' A' ' 26' ' ' MET . 5.3 t -53.96 -53.33 54.37 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.033 0.444 . . . . 0.0 110.372 175.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.455 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 67.8 m-85 -65.33 -34.51 78.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.323 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' O ' HG21 ' A' ' 15' ' ' VAL . 8.7 tp10 -59.59 -50.6 73.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.284 177.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 24.3 mm-40 -61.07 -27.34 68.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.604 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.439 ' HB3' HG23 ' A' ' 18' ' ' VAL . 59.4 m -61.84 -52.04 65.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.127 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -75.63 -28.0 58.64 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.864 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 11' ' ' GLU . 52.9 t -61.71 -43.02 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.686 175.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -86.0 -78.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.613 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.5 tptt 173.38 86.88 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.076 0.55 . . . . 0.0 109.807 174.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -154.66 131.92 6.2 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 121.627 -0.671 . . . . 0.0 110.046 175.051 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.0 150.8 84.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.058 2.506 . . . . 0.0 111.879 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -57.59 -41.07 80.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.405 0.145 . . . . 0.0 111.071 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -58.9 -38.32 78.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.769 0.319 . . . . 0.0 111.363 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -75.16 -41.26 58.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.521 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 10.2 t -62.64 -36.42 82.76 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.165 0.507 . . . . 0.0 109.861 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.4 -32.92 71.78 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.273 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -76.3 -18.25 59.05 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.776 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.479 ' HE3' ' SG ' ' A' ' 9' ' ' CYS . 48.4 ttp -90.18 -44.95 9.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.829 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.3 m -106.99 6.29 28.96 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -174.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.624 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 8.0 p -59.88 -43.63 95.18 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.803 168.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.624 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.8 Cg_exo -60.93 -11.13 16.82 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 121.893 1.729 . . . . 0.0 112.498 173.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt -90.31 -70.34 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.47 -175.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 120.627 0.251 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -69.8 -36.99 76.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.044 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.34 80.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.711 0.291 . . . . 0.0 110.475 175.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -63.73 -35.85 81.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.863 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.7 -40.25 94.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.346 176.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.8 t -64.41 -50.22 68.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.92 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.51 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 49.9 m-85 -65.46 -25.72 67.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.702 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.438 ' O ' HG22 ' A' ' 15' ' ' VAL . 34.2 tt0 -80.33 -51.61 8.67 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.626 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.414 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -78.67 -19.83 51.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.431 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.416 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.9 p -56.73 -55.86 28.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.679 0.276 . . . . 0.0 110.596 -178.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -74.42 -31.23 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.64 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 11' ' ' GLU . 73.4 t -62.92 -43.88 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.484 0.183 . . . . 0.0 110.525 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.512 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 92.8 m-20 -66.22 -74.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 82.2 tttt 175.94 85.1 0.0 OUTLIER 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.516 0.51 . . . . 0.0 110.744 168.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.3 m -147.19 143.34 18.04 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 171.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.91 155.11 72.22 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.886 2.391 . . . . 0.0 111.233 169.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -52.54 -43.75 65.37 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.147 0.43 . . . . 0.0 111.63 -177.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -57.67 -36.47 71.95 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.737 0.303 . . . . 0.0 110.907 -178.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -71.71 -35.69 70.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.835 0.35 . . . . 0.0 110.713 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.5 t -65.74 -42.71 90.66 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -65.33 -27.34 68.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.467 0.651 . . . . 0.0 110.604 175.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -74.23 -39.63 62.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.346 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 38.2 ttp -91.61 -53.02 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 61.5 m -79.92 -31.09 40.12 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -169.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.425 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 21.4 m -63.59 -46.8 83.46 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -176.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 84.6 Cg_exo -53.95 -31.24 62.47 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 122.016 1.811 . . . . 0.0 112.814 173.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.446 ' O ' HD23 ' A' ' 30' ' ' LEU . 3.7 tt -64.89 -50.39 66.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.577 0.703 . . . . 0.0 109.105 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.838 -173.61 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.753 0.311 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -64.35 -41.89 96.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.854 0.359 . . . . 0.0 110.538 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.73 97.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.13 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -64.67 -36.87 85.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.53 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -65.01 -41.47 95.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.246 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 t -62.82 -50.99 68.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.223 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.5 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 59.2 m-85 -66.28 -24.82 66.63 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.397 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.528 ' O ' HG21 ' A' ' 15' ' ' VAL . 31.4 tt0 -75.05 -56.77 4.4 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.25 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.52 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -73.17 -22.31 60.52 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -170.405 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 p -58.84 -52.95 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.287 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -79.32 -28.16 42.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.131 -0.227 . . . . 0.0 111.358 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 11' ' ' GLU . 76.7 t -64.15 -34.71 70.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 120.702 0.287 . . . . 0.0 110.643 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 12.9 m120 -76.63 -74.84 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.86 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 41.3 tptt 175.2 86.28 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.493 0.496 . . . . 0.0 110.098 170.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 m -147.27 144.83 20.2 Favored Pre-proline 0 C--O 1.235 0.339 0 CA-C-N 118.346 0.521 . . . . 0.0 109.784 173.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.46 155.12 71.67 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.876 2.384 . . . . 0.0 111.351 169.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -53.52 -43.53 68.4 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 117.795 0.27 . . . . 0.0 111.228 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -56.89 -38.09 72.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.246 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -68.58 -39.28 81.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.297 . . . . 0.0 110.654 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.6 t -63.69 -41.3 98.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -61.01 -32.2 71.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.96 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -72.35 -34.13 67.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.504 -175.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 56.8 mtm -91.55 -52.39 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.63 -0.428 . . . . 0.0 112.123 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.6 m -78.85 -31.5 45.69 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -168.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.517 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 23.0 m -67.14 -50.31 41.35 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.305 -0.558 . . . . 0.0 112.325 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 72.9 Cg_exo -56.99 -28.31 77.68 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 121.768 1.645 . . . . 0.0 112.523 173.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.79 -60.47 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.858 -176.27 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.819 0.342 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -70.17 -34.94 73.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.885 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.98 99.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.173 175.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -64.12 -37.14 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.014 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -66.8 -39.13 87.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.022 176.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.4 t -64.36 -54.19 36.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.425 -179.098 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.464 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.7 m-85 -65.69 -30.15 70.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 -179.142 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -69.25 -60.95 2.01 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.147 0.498 . . . . 0.0 110.169 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.45 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -76.89 -20.19 56.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 -171.6 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.3 p -54.81 -58.9 5.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 118.07 0.396 . . . . 0.0 111.137 -175.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -28.06 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.393 179.245 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.56 -44.27 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.5 m120 -63.26 -73.22 0.12 Allowed 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.256 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.2 tttt 175.25 85.4 0.0 OUTLIER 'General case' 0 C--O 1.231 0.128 0 O-C-N 123.672 0.607 . . . . 0.0 110.233 165.508 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -146.57 142.53 17.45 Favored Pre-proline 0 C--O 1.236 0.376 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.58 154.87 72.82 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.798 2.332 . . . . 0.0 111.308 169.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -54.44 -43.08 71.3 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.271 0.487 . . . . 0.0 111.707 -174.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.524 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 7.3 p-10 -59.58 -39.05 82.88 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.671 0.272 . . . . 0.0 110.689 -178.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -65.98 -38.39 88.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.926 0.393 . . . . 0.0 110.334 175.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 23.9 t -63.23 -42.11 99.19 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.723 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.4 -28.21 69.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.509 177.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 78.1 mt-30 -69.6 -40.82 76.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.907 0.384 . . . . 0.0 110.345 -178.481 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.9 ttp -90.74 -51.23 5.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.197 -175.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.6 m -77.6 -30.1 52.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -169.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.435 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 66.6 m -63.28 -48.7 82.3 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.435 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 72.3 Cg_exo -55.18 -36.27 92.84 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.923 1.749 . . . . 0.0 112.687 172.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 30' ' ' LEU . 4.0 tt -63.4 -45.48 90.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.602 0.715 . . . . 0.0 109.43 176.745 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--N 1.317 -0.837 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.993 -173.438 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.466 0.174 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -67.71 -31.71 71.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.145 0.498 . . . . 0.0 110.164 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.99 82.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.246 175.031 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -64.64 -35.58 81.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.959 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -62.66 -41.52 99.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.018 0.437 . . . . 0.0 110.141 176.149 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 t -62.59 -50.47 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.129 179.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -68.27 -32.09 72.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.505 -179.725 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' O ' HG21 ' A' ' 15' ' ' VAL . 34.3 tt0 -68.96 -52.84 24.79 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.277 178.111 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -21.96 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -172.067 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.464 ' O ' HG11 ' A' ' 18' ' ' VAL . 26.1 p -58.17 -56.76 17.89 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.761 -174.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.624 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -75.17 -27.21 59.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.21 -0.307 . . . . 0.0 111.784 178.542 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.624 ' N ' HD21 ' A' ' 14' ' ' ASN . 52.5 t -61.39 -41.52 90.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 177.238 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.452 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 80.3 m-20 -73.28 -75.56 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.984 178.589 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.7 tttt 174.61 85.69 0.0 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.554 0.534 . . . . 0.0 110.014 174.397 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 HG11 ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER -150.35 143.22 16.3 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-N 118.367 0.531 . . . . 0.0 109.758 174.501 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.31 155.15 70.31 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 123.06 2.507 . . . . 0.0 111.788 170.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -51.48 -43.85 62.28 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 117.61 0.186 . . . . 0.0 111.428 -178.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -58.87 -39.81 82.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.826 -0.17 . . . . 0.0 111.222 -178.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.521 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 8.4 tt0 -70.52 -36.86 73.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.689 0.28 . . . . 0.0 110.512 176.698 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 t -61.61 -45.1 95.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.439 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.12 -40.19 95.66 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.735 178.012 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 11.2 pt20 -69.01 -28.08 66.27 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.93 0.395 . . . . 0.0 110.749 -173.615 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.4 ttp -91.1 -50.3 5.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.8 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.94 -26.55 31.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -171.142 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.453 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 25.2 t -63.35 -49.02 81.15 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.902 -179.015 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 83.1 Cg_exo -52.87 -27.68 35.93 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 121.991 1.794 . . . . 0.0 112.904 175.064 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -75.65 -62.56 1.54 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 176.467 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.27 -174.415 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.543 HE21 ' HA ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.151 0 CA-C-O 120.593 0.235 . . . . 0.0 111.052 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -65.33 -30.06 70.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.041 0.448 . . . . 0.0 110.542 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.97 87.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.183 175.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -64.09 -37.69 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.758 177.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.61 -43.12 99.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.294 177.279 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.82 -50.06 75.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.932 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.731 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.2 m-85 -68.07 -38.76 82.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.933 -178.842 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 15' ' ' VAL . 29.5 tt0 -69.31 -39.46 78.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.848 -175.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -19.57 60.25 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.289 -0.257 . . . . 0.0 111.347 -178.837 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.518 ' HB3' HG23 ' A' ' 18' ' ' VAL . 34.8 m -54.35 -53.79 49.18 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.186 0.304 . . . . 0.0 111.699 179.339 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -78.98 -27.77 43.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.679 0.276 . . . . 0.0 110.877 -178.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.4 t -62.61 -36.36 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.197 175.735 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.59 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 12.1 m120 -81.33 -79.13 0.17 Allowed 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 119.866 -0.733 . . . . 0.0 109.533 176.284 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 67.9 tttt 170.87 85.86 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.653 0.595 . . . . 0.0 109.892 168.649 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -148.8 147.22 23.79 Favored Pre-proline 0 N--CA 1.471 0.59 0 CA-C-N 119.078 0.854 . . . . 0.0 109.976 176.161 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.454 ' O ' HG22 ' A' ' 18' ' ' VAL . 24.0 Cg_exo -64.38 144.19 84.96 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.896 2.398 . . . . 0.0 110.986 171.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -59.71 -37.61 79.34 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.46 -175.225 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.53 -37.09 85.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.252 . . . . 0.0 110.897 178.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 25' ' ' GLN . 45.4 tt0 -66.78 -34.77 78.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.38 . . . . 0.0 110.025 173.376 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.731 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 18.6 t -63.92 -42.38 97.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.316 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -57.9 -36.06 71.9 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 41.1 tt0 -63.63 -43.86 95.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.008 0.432 . . . . 0.0 110.739 -178.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 44.1 ttp -84.69 -42.96 14.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.305 -174.193 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 60.2 m -84.26 -13.35 52.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -173.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.679 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.4 p -62.47 -49.98 81.0 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -178.273 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.679 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 54.7 Cg_exo -56.07 -30.98 81.05 Favored 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 121.892 1.728 . . . . 0.0 112.652 178.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.37 -60.14 3.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.158 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.779 -174.448 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.496 HE21 ' HA ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.618 0.247 . . . . 0.0 111.034 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.35 -39.68 92.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.109 0.48 . . . . 0.0 110.418 178.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.43 98.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.588 177.885 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.7 -36.78 85.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.091 -179.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -65.88 -41.93 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.308 177.086 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.5 t -60.02 -50.01 75.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.266 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -65.32 -39.28 92.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.551 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -63.8 -44.6 92.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 0.0 110.795 -178.347 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.508 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -72.48 -19.01 61.62 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.345 -176.637 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.1 m -55.67 -57.09 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.583 -178.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.01 -37.41 79.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.565 178.557 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.491 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.6 m120 -87.66 -77.55 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.594 -179.849 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 54.9 tttm 173.12 85.71 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.527 0.517 . . . . 0.0 110.214 171.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -162.38 124.85 1.71 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 121.615 -0.678 . . . . 0.0 111.107 175.423 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.25 148.83 68.07 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.332 2.688 . . . . 0.0 112.877 178.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -53.75 -46.76 70.99 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -64.45 -41.32 96.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.553 0.216 . . . . 0.0 111.044 -175.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.5 -34.96 75.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 109.919 176.102 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 t -59.33 -41.74 89.84 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.92 174.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -55.39 -35.71 65.6 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.3 176.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.546 ' HA ' HE21 ' A' ' 25' ' ' GLN . 0.0 OUTLIER -71.62 -26.24 62.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.957 -175.301 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 49.9 ttp -90.81 -48.57 6.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.28 178.063 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.7 m -78.15 -25.6 47.36 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -173.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.494 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 13.8 t -61.17 -49.07 89.96 Favored Pre-proline 0 CA--C 1.539 0.533 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.604 -179.49 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 81.0 Cg_exo -52.49 -32.43 52.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.279 1.986 . . . . 0.0 113.232 174.574 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.434 ' O ' HD22 ' A' ' 30' ' ' LEU . 3.4 tt -67.34 -48.47 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 176.248 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 . . . . . 0 C--N 1.318 -0.763 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.337 -173.882 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.736 0.303 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -64.34 -37.2 86.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.236 0.541 . . . . 0.0 110.163 177.295 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.67 95.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.312 177.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -67.45 -35.65 79.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.269 -178.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.564 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 78.3 t80 -65.7 -41.71 92.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.438 . . . . 0.0 110.198 175.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.47 -47.57 85.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.988 177.661 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.564 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 40.4 m-85 -70.94 -20.97 62.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.133 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 5.9 pt-20 -82.99 -45.83 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.656 179.744 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.547 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.03 -25.89 40.02 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -174.666 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.8 p -56.1 -49.92 72.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.639 0.257 . . . . 0.0 111.202 -175.019 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -72.51 -29.33 63.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.556 0.217 . . . . 0.0 111.386 178.308 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 11' ' ' GLU . 71.6 t -68.59 -36.99 77.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.391 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.32 -77.48 0.1 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.46 85.02 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.602 0.564 . . . . 0.0 110.502 171.356 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.35 148.34 23.97 Favored Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 121.179 -0.951 . . . . 0.0 110.166 176.644 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -73.57 153.75 49.55 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.724 2.283 . . . . 0.0 111.412 171.016 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.84 -42.68 68.75 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 117.981 0.355 . . . . 0.0 111.375 -176.071 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -58.59 -41.8 86.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.075 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.43 ' HA ' HE21 ' A' ' 25' ' ' GLN . 50.0 tt0 -67.23 -37.34 83.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.248 176.021 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 22.7 t -61.04 -43.47 98.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.564 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -62.22 -37.09 84.05 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.265 177.045 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.43 HE21 ' HA ' ' A' ' 22' ' ' GLN . 46.7 mt-30 -66.33 -40.75 90.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -176.365 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.8 ttp -81.57 -40.68 22.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.746 -176.451 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.2 m -84.15 -16.99 41.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.071 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.701 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.1 p -63.0 -51.89 67.41 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -177.549 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.701 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -59.64 -20.92 60.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 C-N-CA 121.876 1.717 . . . . 0.0 112.595 178.168 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.427 HD21 ' C ' ' A' ' 30' ' ' LEU . 4.3 tt -73.5 -55.78 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.064 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.118 -177.338 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.458 0.171 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -70.16 -35.83 74.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.106 0.479 . . . . 0.0 110.193 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.81 83.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.251 177.188 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -64.46 -35.15 80.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.113 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.92 -40.25 91.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.285 176.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.9 t -61.38 -48.82 79.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.343 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -69.85 -23.08 63.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.413 179.484 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' O ' HG22 ' A' ' 15' ' ' VAL . 8.2 tp10 -73.16 -62.91 1.3 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.11 0.481 . . . . 0.0 110.303 179.09 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.479 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -74.28 -18.65 60.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.472 -170.796 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 22.7 p -56.66 -57.37 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.47 0.176 . . . . 0.0 110.83 -175.731 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.417 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 3.3 p-10 -76.29 -28.56 57.06 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 121.106 -0.237 . . . . 0.0 111.194 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 11' ' ' GLU . 77.3 t -61.74 -42.93 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.469 178.866 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.464 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 83.2 m-20 -71.83 -74.4 0.16 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.014 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 177.37 83.91 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 O-C-N 123.639 0.587 . . . . 0.0 111.188 166.738 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.22 143.11 16.24 Favored Pre-proline 0 N--CA 1.464 0.255 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 171.151 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.62 152.77 80.59 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.805 2.336 . . . . 0.0 111.54 172.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -58.84 -38.63 79.14 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -178.086 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -61.76 -31.24 71.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.998 0.428 . . . . 0.0 110.242 178.02 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -75.17 -38.13 60.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.99 175.109 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 61.1 m -55.29 -42.77 74.05 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.389 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -58.97 -40.71 85.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.812 -179.532 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -73.47 -26.3 60.86 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.535 -173.335 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.1 ttp -91.63 -48.88 6.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.81 0.338 . . . . 0.0 111.546 177.638 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.9 m -83.43 -31.94 26.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -170.408 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.489 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 74.8 m -64.07 -51.94 59.28 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.03 -179.072 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.489 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 80.2 Cg_exo -52.63 -43.39 55.64 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.0 1.8 . . . . 0.0 112.106 172.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -51.46 -55.68 17.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.455 175.624 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.664 -173.76 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.778 0.323 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.457 HE21 ' HA ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -68.98 -44.53 72.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.403 179.869 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' ' HD1' ' A' ' 10' ' ' TYR . . . -63.53 -43.82 96.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.446 177.769 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -66.91 -33.33 75.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.12 -177.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -69.15 -42.54 75.8 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.274 177.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.5 t -61.64 -47.19 86.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.253 178.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.591 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.8 m-85 -71.42 -18.91 62.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.628 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 15' ' ' VAL . 27.9 tp10 -74.54 -64.07 1.11 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.334 0.587 . . . . 0.0 110.331 177.793 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.525 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -70.97 -18.46 62.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.226 -169.362 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.408 ' O ' HG11 ' A' ' 18' ' ' VAL . 31.6 p -61.58 -57.03 13.68 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.762 -176.693 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.407 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.1 p-10 -73.31 -28.66 62.21 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.452 -0.155 . . . . 0.0 111.352 178.356 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 11' ' ' GLU . 64.7 t -62.31 -36.08 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.482 178.141 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 13.2 m120 -76.92 -76.62 0.16 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.392 176.224 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.594 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.99 86.38 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.669 0.605 . . . . 0.0 110.456 167.073 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.408 HG11 ' O ' ' A' ' 13' ' ' CYS . 1.1 m -142.91 142.32 21.93 Favored Pre-proline 0 C--O 1.237 0.406 0 O-C-N 121.074 -1.016 . . . . 0.0 109.951 174.127 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -62.08 153.27 70.33 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.933 2.422 . . . . 0.0 111.519 171.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -55.72 -43.25 76.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.806 0.276 . . . . 0.0 111.457 -175.76 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.72 -38.66 85.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.5 0.191 . . . . 0.0 110.973 -178.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 45.2 tt0 -68.04 -37.86 81.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 110.082 176.366 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 31.1 t -62.08 -43.08 99.61 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.82 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -62.8 -40.96 98.97 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.394 176.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 5.0 pt20 -69.62 -28.53 66.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.637 0.256 . . . . 0.0 111.012 -172.317 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.461 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 31.5 ttp -86.86 -43.65 12.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.653 0.263 . . . . 0.0 111.327 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.0 m -83.42 -8.4 59.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -176.7 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.708 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 14.6 p -62.19 -49.78 83.01 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.708 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.3 Cg_exo -59.68 -11.49 14.64 Favored 'Trans proline' 0 C--N 1.361 1.209 0 C-N-CA 122.118 1.878 . . . . 0.0 112.801 178.345 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -90.44 -63.49 1.27 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.165 -171.527 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.635 0.255 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -68.17 -31.26 70.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.962 0.411 . . . . 0.0 110.588 -176.601 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -39.96 81.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.128 176.101 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -63.06 -35.59 80.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.014 178.349 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -61.72 -43.98 97.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.523 177.274 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.4 t -61.98 -46.24 90.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.044 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.546 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 46.8 m-85 -68.88 -36.61 78.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.837 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.534 ' O ' HG21 ' A' ' 15' ' ' VAL . 30.3 tt0 -72.57 -39.86 67.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.68 -178.111 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -64.39 -23.3 67.24 Favored 'General case' 0 CA--C 1.521 -0.137 0 O-C-N 122.265 -0.272 . . . . 0.0 110.551 177.341 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.492 ' HB3' HG21 ' A' ' 18' ' ' VAL . 53.4 m -59.55 -49.91 75.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.243 178.348 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.22 -28.6 38.56 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.98 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.534 HG21 ' O ' ' A' ' 11' ' ' GLU . 68.8 t -62.15 -51.12 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.62 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.541 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.4 m120 -75.82 -78.91 0.11 Allowed 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.065 -177.645 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 55.0 tttm 171.55 86.61 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.97 0.508 . . . . 0.0 110.649 167.755 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.492 HG21 ' HB3' ' A' ' 13' ' ' CYS . 1.5 m -145.0 140.53 16.27 Favored Pre-proline 0 C--O 1.236 0.353 0 O-C-N 121.521 -0.737 . . . . 0.0 110.053 174.084 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -61.53 144.52 97.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.953 2.435 . . . . 0.0 111.033 173.49 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -60.91 -37.25 81.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.709 -175.671 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.74 -37.12 85.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.907 0.384 . . . . 0.0 110.318 178.513 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -70.37 -37.71 74.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.201 174.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.9 t -63.44 -38.9 92.93 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.088 0.47 . . . . 0.0 110.015 178.483 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -62.28 -24.43 67.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.858 176.146 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -79.9 -31.7 40.25 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.74 -179.662 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 45.0 ttp -90.29 -49.12 6.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.039 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.1 m -87.37 -11.75 48.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -170.753 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.644 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 77.2 p -65.16 -45.56 72.2 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.769 -178.29 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.644 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.6 Cg_exo -60.05 -15.73 35.29 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 121.882 1.722 . . . . 0.0 112.966 177.551 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.444 ' O ' HD23 ' A' ' 30' ' ' LEU . 4.1 tt -74.49 -49.77 20.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.921 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.922 -175.175 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.542 HE21 ' HA ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.333 0.111 . . . . 0.0 111.235 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -63.52 -26.83 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.15 0.5 . . . . 0.0 110.167 -179.685 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.36 91.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.41 176.322 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -64.98 -32.21 73.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.059 178.721 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -69.25 -41.56 76.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.119 177.463 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -62.37 -49.74 74.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.253 178.391 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.507 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.0 m-85 -68.52 -18.93 64.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.738 -178.808 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.513 ' O ' HG22 ' A' ' 15' ' ' VAL . 7.2 tp10 -83.32 -62.22 1.64 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.296 176.435 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -66.06 -20.22 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.343 -172.692 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 26.0 p -57.46 -53.39 58.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.842 0.354 . . . . 0.0 110.233 178.795 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.413 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 15.1 m120 -74.05 -31.62 62.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.912 178.807 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 11' ' ' GLU . 87.1 t -63.69 -38.16 81.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.164 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.475 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.2 m120 -72.88 -76.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.883 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 87.8 tttt 174.09 85.94 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.114 0 O-C-N 123.398 0.436 . . . . 0.0 110.092 171.465 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 m -145.93 142.29 17.65 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 121.718 -0.614 . . . . 0.0 110.216 175.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -67.13 155.86 68.85 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.029 2.486 . . . . 0.0 111.633 169.277 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -49.46 -45.99 47.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.968 0.349 . . . . 0.0 111.659 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.14 -36.18 72.6 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.885 0.374 . . . . 0.0 110.71 -178.256 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -71.22 -41.6 69.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.263 176.731 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.9 t -61.0 -45.7 93.76 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.564 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -62.32 -43.97 97.58 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.454 177.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -69.71 -23.26 63.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.951 -170.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.5 ttp -90.33 -46.92 8.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.521 177.065 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 37.8 m -83.57 -21.79 32.54 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -172.72 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.633 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 63.2 p -62.64 -43.85 84.95 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.541 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.633 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 62.0 Cg_exo -57.96 -23.94 62.58 Favored 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 121.869 1.713 . . . . 0.0 112.678 174.151 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.413 ' C ' HD22 ' A' ' 30' ' ' LEU . 3.5 tt -81.31 -59.98 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.77 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.856 -174.498 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -59.86 -40.21 87.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.992 0.425 . . . . 0.0 110.729 178.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.445 ' O ' ' HD2' ' A' ' 10' ' ' TYR . . . -66.38 -41.5 89.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.573 178.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -63.46 -34.47 77.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.213 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -65.68 -43.08 90.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.148 177.241 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.81 -52.45 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.157 176.07 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.577 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 40.1 m-85 -61.15 -27.05 68.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.516 -179.203 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -68.27 -58.86 3.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.098 0.475 . . . . 0.0 110.513 175.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -80.76 -23.49 39.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -171.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.475 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 30.4 p -58.1 -54.84 42.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.012 0.369 . . . . 0.0 111.444 -174.229 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.07 -28.24 67.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.785 0.326 . . . . 0.0 111.006 178.133 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.73 -41.64 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.758 179.029 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 12.3 m120 -70.89 -75.01 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.17 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.558 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 177.61 84.28 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.494 171.363 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -151.38 140.62 13.82 Favored Pre-proline 0 C--O 1.235 0.327 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 171.661 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HD2' ' OE1' ' A' ' 22' ' ' GLN . 23.5 Cg_exo -64.34 150.89 87.44 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.759 2.306 . . . . 0.0 111.485 171.073 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -55.34 -43.76 75.27 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 121.278 -0.169 . . . . 0.0 111.347 -177.462 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.06 -31.41 72.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.756 0.312 . . . . 0.0 110.773 -178.363 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.449 ' OE1' ' HD2' ' A' ' 19' ' ' PRO . 45.2 tt0 -73.0 -38.89 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.139 175.421 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.577 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.6 t -63.29 -41.18 98.95 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.608 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.433 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 11.0 t80 -63.29 -36.16 82.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.085 175.777 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -68.69 -35.72 77.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.816 -173.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.4 ttp -89.84 -50.29 6.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.265 -175.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.03 4.49 39.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -168.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.526 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 22.8 t -68.1 -49.3 35.58 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 119.516 -0.873 . . . . 0.0 110.438 168.254 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 51.7 Cg_exo -59.35 -22.41 65.4 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.15 1.9 . . . . 0.0 112.929 174.731 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.437 ' C ' HD23 ' A' ' 30' ' ' LEU . 5.6 tt -60.55 -46.88 88.56 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.305 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.322 -179.37 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 . . . . . 0 C--O 1.235 0.293 0 CA-C-O 120.517 0.199 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -68.66 -34.0 74.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.862 0.363 . . . . 0.0 110.708 178.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.1 96.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.461 176.078 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -63.93 -35.64 81.33 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.422 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 79.0 t80 -64.48 -43.07 95.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.181 176.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t -56.21 -49.77 73.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.748 179.056 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.557 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 71.3 m-85 -70.69 -35.51 72.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.549 -179.27 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' O ' HG21 ' A' ' 15' ' ' VAL . 46.0 tt0 -64.86 -42.35 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.08 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 32.4 mm-40 -70.87 -20.09 62.56 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.971 -177.355 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.2 m -60.2 -56.34 22.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.958 177.536 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -71.66 -28.02 63.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.771 -178.252 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 11' ' ' GLU . 48.0 t -58.66 -40.03 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.725 176.399 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 42.0 m-80 -86.38 -76.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.401 177.751 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.8 tttt 175.28 85.86 0.0 OUTLIER 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.533 0.52 . . . . 0.0 110.155 171.226 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -161.06 127.34 2.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.196 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.28 154.06 60.93 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.307 2.671 . . . . 0.0 112.845 176.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -54.94 -46.61 75.0 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.567 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.4 -40.09 93.1 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.916 0.389 . . . . 0.0 110.666 -177.8 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -70.12 -33.49 71.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.326 176.628 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.557 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.7 t -64.81 -38.73 91.97 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.652 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -59.33 -34.43 72.33 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.247 174.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.88 -41.4 95.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.863 0.363 . . . . 0.0 110.256 -178.313 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.422 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 44.5 ttp -88.55 -38.22 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.133 -177.834 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.5 t -89.59 -1.07 57.92 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -174.014 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.558 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.2 p -56.13 -41.32 90.43 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.007 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.558 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 78.7 Cg_exo -55.0 -21.91 28.73 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 122.239 1.959 . . . . 0.0 113.468 174.033 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tt -90.5 -70.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.409 . . . . 0.0 109.977 -178.754 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.002 -173.534 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.69 0.281 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -67.32 -36.93 82.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.731 -178.576 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.67 99.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.447 177.107 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -68.51 -26.58 65.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.288 0.566 . . . . 0.0 110.114 -179.216 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.415 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 85.1 t80 -73.82 -43.5 58.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.513 175.675 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.44 -47.48 85.91 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.507 -179.335 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -70.08 -21.92 63.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.807 -178.885 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.5 tt0 -77.83 -58.58 3.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.156 0.503 . . . . 0.0 110.014 176.204 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.428 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 14.6 mm100 -70.52 -18.35 62.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.285 -171.745 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.413 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.0 p -60.82 -54.42 45.37 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.498 -177.708 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -75.45 -29.07 59.55 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.26 178.344 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 11' ' ' GLU . 69.8 t -66.65 -34.86 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.318 . . . . 0.0 110.403 178.687 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.498 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 25.1 t-20 -75.02 -74.99 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.007 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 40.0 mttt 174.18 84.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.843 0.857 . . . . 0.0 110.1 170.45 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER -149.87 144.15 17.4 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 118.543 0.611 . . . . 0.0 109.677 174.707 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -66.66 154.39 74.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.703 2.269 . . . . 0.0 111.31 170.508 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -54.97 -42.8 72.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 118.165 0.439 . . . . 0.0 111.404 -176.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.494 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.4 p-10 -57.41 -44.4 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.965 179.547 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.53 -36.3 83.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.756 0.312 . . . . 0.0 110.583 176.255 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.44 -43.08 93.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -64.68 -37.79 88.79 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 175.464 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 27.0 mt-30 -63.88 -41.61 97.71 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.049 0.452 . . . . 0.0 110.281 -176.116 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 49.8 ttp -83.14 -43.53 16.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.943 -174.743 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.9 m -84.5 -16.07 43.72 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -173.49 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.639 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.9 p -61.49 -46.97 94.41 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -177.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.639 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 59.0 Cg_exo -57.27 -18.58 30.92 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 122.065 1.843 . . . . 0.0 113.385 178.645 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -80.21 -60.48 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.619 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.412 -175.435 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 . . . . . 0 CA--C 1.521 -0.137 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -65.32 -34.16 77.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.021 0.439 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.29 68.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.383 177.131 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 26.7 tptp -64.99 -36.36 84.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.088 -179.463 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -63.18 -41.22 99.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.27 176.602 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.92 -49.53 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.605 -178.803 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -67.98 -28.29 67.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.661 0.267 . . . . 0.0 111.368 -179.67 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.472 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -74.96 -56.41 4.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.898 0.38 . . . . 0.0 110.48 178.445 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -72.62 -19.0 61.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -173.086 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 19.5 p -57.76 -54.3 48.41 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.466 -176.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.419 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.3 p-10 -75.68 -29.23 58.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 178.131 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 11' ' ' GLU . 72.0 t -64.06 -41.42 92.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.637 0.256 . . . . 0.0 110.47 178.757 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 84.4 m-20 -71.06 -74.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.172 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 64.9 tttp 173.11 85.95 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.197 0.599 . . . . 0.0 110.189 167.065 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -147.5 147.1 26.88 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-N 118.711 0.687 . . . . 0.0 109.502 173.456 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.01 153.88 73.46 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.725 2.283 . . . . 0.0 111.258 170.447 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -58.01 -38.87 76.96 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.701 0.228 . . . . 0.0 111.262 -178.313 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.62 -34.57 74.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.352 177.673 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -70.27 -37.89 74.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.108 175.799 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.9 m -56.79 -43.87 81.33 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.868 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.415 ' O ' ' HB2' ' A' ' 28' ' ' SER . 36.1 t80 -64.93 -34.48 78.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -72.48 -34.56 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.919 0.39 . . . . 0.0 110.962 -176.334 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.4 ttp -91.09 -50.18 5.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.067 -178.681 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.1 m -82.26 -34.24 28.84 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -169.685 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.441 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 51.0 m -63.17 -48.58 83.23 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -176.299 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.441 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 84.5 Cg_exo -52.94 -40.78 74.86 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.95 1.767 . . . . 0.0 112.582 172.564 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.98 -59.5 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.61 0.719 . . . . 0.0 109.093 175.207 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 . . . . . 0 C--N 1.32 -0.7 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.626 -173.052 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 120.818 0.342 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.24 -37.5 80.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.444 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.12 97.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 177.218 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -66.72 -34.83 78.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.827 0.346 . . . . 0.0 110.211 -178.541 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -64.43 -40.99 96.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.113 176.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.9 t -61.78 -48.2 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.488 179.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.649 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 66.7 m-85 -71.14 -27.8 63.82 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.769 -179.026 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.7 OUTLIER -70.84 -57.07 4.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.124 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.513 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -77.68 -19.32 55.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -169.866 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' O ' HG12 ' A' ' 18' ' ' VAL . 29.4 p -60.69 -58.51 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.665 -176.919 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.648 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -69.59 -26.87 64.67 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.207 -0.197 . . . . 0.0 111.283 179.238 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.648 ' N ' HD21 ' A' ' 14' ' ' ASN . 57.0 t -63.44 -40.2 88.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 177.561 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 12.3 m120 -69.53 -73.72 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 60.6 tttm 175.44 85.17 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 O-C-N 123.733 0.646 . . . . 0.0 110.136 169.275 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -150.07 140.01 13.65 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 118.468 0.577 . . . . 0.0 109.948 175.073 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.99 154.58 72.37 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.989 2.459 . . . . 0.0 111.697 170.586 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -53.24 -44.19 67.92 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.975 0.352 . . . . 0.0 111.675 -174.693 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -61.09 -35.87 78.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -178.162 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.65 -38.77 73.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.869 0.366 . . . . 0.0 110.283 174.1 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.649 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.0 t -60.51 -46.03 91.65 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.336 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -58.53 -37.04 74.82 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.152 176.421 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -63.99 -41.4 97.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.805 0.335 . . . . 0.0 110.762 -175.487 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.492 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 32.6 ttp -83.02 -43.21 16.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.653 -177.82 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.7 m -81.13 -16.89 51.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.218 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.64 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.4 p -57.97 -49.08 95.64 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.788 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.64 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 80.7 Cg_exo -53.73 -28.76 48.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 122.127 1.885 . . . . 0.0 112.988 177.803 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tt -80.3 -57.42 3.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.507 179.371 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.977 -173.14 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.624 0.249 . . . . 0.0 111.463 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -65.38 -34.54 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.948 0.404 . . . . 0.0 110.502 -177.344 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.03 -41.28 64.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.432 176.719 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.68 -36.8 84.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.092 179.347 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -65.88 -41.87 91.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.593 178.02 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -61.25 -45.13 95.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.376 -178.306 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.401 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.1 m-85 -78.02 -25.18 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.273 -177.757 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 15' ' ' VAL . 42.2 tt0 -75.48 -50.86 14.46 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.083 179.667 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.473 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.93 -20.95 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -170.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 p -55.92 -57.07 13.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.646 0.26 . . . . 0.0 111.234 -175.615 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -70.12 -28.73 65.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.191 178.917 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 11' ' ' GLU . 79.3 t -64.48 -39.17 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.526 179.246 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 11.1 m120 -69.74 -75.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.581 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 177.45 84.23 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.495 169.575 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -149.54 141.12 14.73 Favored Pre-proline 0 C--O 1.235 0.317 0 O-C-N 121.438 -0.789 . . . . 0.0 109.688 175.431 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.98 154.39 73.57 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.765 2.31 . . . . 0.0 111.213 169.239 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -56.17 -43.95 78.85 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 118.37 0.532 . . . . 0.0 111.653 -175.513 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -60.2 -34.43 73.62 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.754 0.311 . . . . 0.0 110.78 -179.657 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -70.28 -38.17 74.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.385 174.837 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 49.3 t -60.72 -45.81 92.81 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 177.132 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -61.02 -37.49 82.75 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.067 176.412 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -64.02 -35.24 80.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 -175.18 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.455 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 24.3 ttp -85.75 -45.35 11.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.785 -179.119 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.9 m -85.03 -6.89 59.31 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -173.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.581 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.1 p -60.65 -47.76 95.14 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.192 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.581 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 85.7 Cg_exo -53.48 -28.5 45.03 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.866 1.711 . . . . 0.0 112.257 174.853 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -81.14 -66.55 0.87 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.614 -178.851 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.001 -174.578 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 120.736 0.303 . . . . 0.0 111.328 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -67.71 -32.99 74.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.893 -179.244 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.17 96.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.05 174.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.16 -37.05 85.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.316 179.906 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.403 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 81.3 t80 -65.21 -42.57 93.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 176.406 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.2 t -61.78 -51.32 68.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 -178.426 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.543 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 63.4 m-85 -66.72 -25.06 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.438 -178.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -75.92 -50.42 15.04 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.959 178.049 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 28.4 mm-40 -80.85 -23.41 39.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.344 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 29.8 p -55.49 -59.61 4.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.379 0.133 . . . . 0.0 111.178 -174.772 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.406 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -69.95 -28.14 65.32 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.448 179.013 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.5 -45.08 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.708 0.29 . . . . 0.0 110.477 177.615 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.476 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 85.3 m-20 -67.03 -73.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.837 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.5 tttt 175.76 85.44 0.0 OUTLIER 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.407 0.442 . . . . 0.0 110.457 168.3 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -148.93 141.16 14.93 Favored Pre-proline 0 C--O 1.235 0.305 0 O-C-N 121.843 -0.536 . . . . 0.0 109.571 173.588 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.34 154.85 72.64 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.808 2.338 . . . . 0.0 111.414 169.569 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -52.0 -43.96 63.9 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.007 0.367 . . . . 0.0 111.712 -176.146 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.69 -39.55 88.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.935 -179.216 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.02 -38.7 89.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.195 174.757 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 33.7 t -60.3 -44.29 95.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.745 178.128 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -60.67 -37.51 81.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 177.283 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -70.94 -28.79 64.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.725 0.298 . . . . 0.0 111.208 -174.331 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 44.4 ttp -90.46 -44.13 9.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.521 179.233 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.4 m -82.84 -25.64 32.44 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -173.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.491 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 22.3 t -61.51 -49.7 85.97 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.025 -0.512 . . . . 0.0 112.087 -178.566 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 75.1 Cg_exo -54.58 -24.29 35.96 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.138 1.892 . . . . 0.0 113.059 175.93 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -77.63 -58.28 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.701 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.175 -174.663 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 . . . . . 0 C--O 1.234 0.238 0 CA-C-O 120.719 0.295 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -69.91 -39.09 76.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 -179.01 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.35 90.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.262 176.5 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.3 -31.12 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.81 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -66.95 -42.47 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.26 176.55 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.2 t -60.05 -46.17 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.933 178.391 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.488 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 54.6 m-85 -69.08 -34.34 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.437 179.472 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.7 tp10 -60.91 -52.22 65.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.069 0.462 . . . . 0.0 110.357 177.8 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.464 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -61.34 -25.13 66.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -178.324 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.452 ' CA ' HG12 ' A' ' 18' ' ' VAL . 53.4 m -61.59 -51.23 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.36 177.361 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -75.27 -26.93 59.19 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.778 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 11' ' ' GLU . 69.0 t -65.06 -45.49 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.871 175.739 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.418 ' C ' ' HG3' ' A' ' 17' ' ' LYS . 12.1 m120 -86.56 -77.9 0.3 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.261 -174.866 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HG3' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER 177.45 81.74 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.946 0.403 . . . . 0.0 111.482 176.018 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.452 HG12 ' CA ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -163.66 124.25 1.43 Allowed Pre-proline 0 C--N 1.322 -0.598 0 O-C-N 121.364 -0.835 . . . . 0.0 111.009 175.663 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.28 153.19 54.95 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.499 2.8 . . . . 0.0 112.787 177.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -54.79 -44.18 73.52 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 111.776 0.288 . . . . 0.0 111.776 -176.781 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.79 -44.1 97.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.728 0.299 . . . . 0.0 111.665 -177.596 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -74.4 -27.14 60.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.763 0.316 . . . . 0.0 110.487 177.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.488 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 27.6 t -68.28 -38.79 82.04 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.519 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -55.2 -34.35 63.83 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.923 175.661 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -65.2 -34.89 79.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.946 0.403 . . . . 0.0 110.694 -178.086 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.51 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 35.3 ttp -90.51 -47.53 7.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -177.323 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.3 m -83.57 -14.4 52.21 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.427 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.561 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.2 p -58.15 -44.43 99.25 Favored Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -178.14 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.561 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 92.8 Cg_exo -48.75 -47.63 20.37 Favored 'Trans proline' 0 C--N 1.362 1.248 0 C-N-CA 122.54 2.16 . . . . 0.0 114.088 179.834 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -71.23 -29.71 65.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 0.0 110.29 -178.088 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.494 -177.414 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 . . . . . 0 C--O 1.232 0.153 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.23 -35.35 80.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.73 0.3 . . . . 0.0 110.708 -179.011 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.49 98.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.987 175.434 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -64.29 -42.8 96.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.06 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -61.89 -40.82 96.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.489 177.611 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.86 -50.48 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.431 -179.168 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -70.48 -29.89 66.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.546 -179.381 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.499 ' O ' HG22 ' A' ' 15' ' ' VAL . 38.4 tt0 -67.47 -52.4 39.71 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.358 177.756 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.521 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.26 -26.91 38.75 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -171.995 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.468 ' O ' HG13 ' A' ' 18' ' ' VAL . 23.9 p -56.47 -50.47 71.65 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.006 0.431 . . . . 0.0 110.435 -177.642 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.41 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.6 t-20 -75.91 -27.58 57.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -178.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 11' ' ' GLU . 54.9 t -69.06 -40.4 80.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.52 0.2 . . . . 0.0 110.761 178.851 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.479 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.0 m120 -70.41 -75.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.686 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 84.1 tttt 175.25 83.71 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.839 170.798 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.47 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -152.7 143.14 15.42 Favored Pre-proline 0 C--O 1.237 0.425 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 173.777 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.438 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.7 Cg_exo -66.58 152.91 79.74 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.891 2.394 . . . . 0.0 111.944 172.824 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 23' ' ' CYS . 69.7 t80 -55.04 -40.83 70.68 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -177.573 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.62 -38.26 84.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.847 0.355 . . . . 0.0 110.677 179.319 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.626 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 35.5 tt0 -74.0 -28.47 61.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.366 176.098 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 20' ' ' PHE . 73.7 m -59.19 -48.67 80.76 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 169.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -57.49 -43.04 83.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.823 -179.237 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 2.4 pt20 -63.82 -30.56 71.63 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.64 0.257 . . . . 0.0 110.94 -174.354 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.8 ttp -90.19 -45.86 8.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.485 -179.665 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -79.93 -18.55 50.21 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.91 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.707 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.6 p -64.26 -49.99 69.96 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-O 118.55 -0.738 . . . . 0.0 112.859 -177.854 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.707 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.4 Cg_exo -62.0 -15.04 40.88 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 122.141 1.894 . . . . 0.0 112.588 176.791 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -81.29 -59.67 2.55 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.462 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.77 -175.771 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -67.25 -31.53 71.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 178.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.95 94.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.044 177.443 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.29 -36.23 83.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.191 0.519 . . . . 0.0 109.713 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -67.42 -41.01 85.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.454 176.221 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.26 -50.02 71.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.543 -179.925 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -65.4 -21.27 66.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.826 0.346 . . . . 0.0 111.465 -179.575 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.468 ' O ' HG21 ' A' ' 15' ' ' VAL . 5.2 tp10 -78.66 -61.23 2.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.002 0.429 . . . . 0.0 110.115 177.489 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.505 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -69.43 -23.68 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.36 -172.947 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 29.2 p -55.76 -54.15 47.93 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.532 -177.745 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.405 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 3.0 t-20 -74.33 -28.95 61.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.909 179.35 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 11' ' ' GLU . 76.0 t -66.65 -38.51 81.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.582 0.23 . . . . 0.0 110.469 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -69.21 -75.07 0.12 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 176.648 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.3 pttt 175.45 84.15 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.872 0.732 . . . . 0.0 110.606 166.074 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 19' ' ' PRO . 1.3 m -148.75 149.61 31.09 Favored Pre-proline 0 C--O 1.233 0.198 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 172.505 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.411 ' O ' HG21 ' A' ' 18' ' ' VAL . 16.8 Cg_exo -69.23 154.29 70.05 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.892 2.395 . . . . 0.0 111.237 169.101 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -60.14 -37.0 78.77 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.442 0.163 . . . . 0.0 111.294 -178.175 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -59.49 -33.15 70.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.426 177.137 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -73.58 -38.35 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.232 174.861 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.9 m -55.76 -42.01 74.83 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.143 0.497 . . . . 0.0 109.699 173.726 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.29 -23.85 67.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.979 -179.54 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -85.06 -29.96 24.49 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.128 -178.237 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.3 ttp -91.3 -48.76 6.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.808 0.337 . . . . 0.0 111.828 179.258 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 32.6 m -77.06 -36.06 56.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -170.878 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.474 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 48.9 m -60.9 -50.06 86.53 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -177.595 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 74.1 Cg_exo -54.37 -23.35 30.4 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.431 2.088 . . . . 0.0 113.415 176.187 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.55 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 10.7 tp -70.31 -53.92 14.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.266 0.555 . . . . 0.0 110.626 176.627 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.317 -0.805 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.614 -174.89 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 C--O 1.233 0.193 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -66.6 -26.54 67.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.107 0.48 . . . . 0.0 110.197 179.356 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.5 80.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.302 175.119 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -63.18 -39.8 95.7 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.254 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.04 -43.43 95.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.219 177.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.9 -52.58 63.58 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.966 -178.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.53 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 83.9 m-85 -74.66 -38.57 62.42 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.465 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -64.29 -36.02 82.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 -175.785 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -80.43 -17.36 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.364 -178.302 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 85.5 m -51.86 -54.59 27.38 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.862 0.363 . . . . 0.0 111.242 -179.53 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -75.64 -26.66 57.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.908 0.385 . . . . 0.0 110.364 -177.291 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.19 -43.94 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.303 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.6 m120 -78.6 -77.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.183 -178.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.1 tttt 173.18 84.32 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.198 0.599 . . . . 0.0 109.646 169.668 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 p -163.49 125.23 1.55 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 121.78 -0.575 . . . . 0.0 110.89 175.716 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.94 143.79 90.93 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.953 2.435 . . . . 0.0 111.622 175.723 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -56.3 -37.61 70.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.527 -175.541 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -65.48 -47.45 76.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.662 0.268 . . . . 0.0 111.204 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 38.0 tt0 -69.49 -33.15 72.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.871 0.367 . . . . 0.0 110.529 177.534 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.47 -29.52 64.93 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.162 179.648 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -54.82 -35.0 63.46 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.175 174.469 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -67.25 -25.27 66.0 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.704 0.288 . . . . 0.0 110.431 -176.732 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.0 ttp -90.68 -47.4 7.68 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.5 -179.851 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.6 m -80.12 -10.92 59.79 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -175.811 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.67 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.3 p -59.92 -51.32 81.54 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -177.66 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.67 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.6 Cg_exo -61.17 -12.76 24.63 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.998 1.799 . . . . 0.0 112.66 178.194 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -90.28 -61.44 1.68 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.48 179.213 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.223 -173.05 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.505 0.193 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.03 -31.75 73.05 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.132 0.492 . . . . 0.0 110.451 -178.954 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.99 -41.45 67.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.274 175.834 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -62.84 -35.85 81.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.124 178.616 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.631 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 74.3 t80 -65.76 -39.98 91.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.47 176.54 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.4 t -62.62 -46.55 87.76 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.739 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.468 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 42.1 m-85 -69.32 -27.42 65.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.036 179.743 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.631 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 9.0 pt-20 -77.41 -43.64 31.93 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.581 -179.017 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.547 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -81.29 -26.41 35.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -176.626 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -56.22 -53.05 61.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.525 0.203 . . . . 0.0 111.407 -173.683 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -71.71 -29.13 64.22 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.397 178.785 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.71 -39.69 84.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.44 178.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 15.1 m120 -67.83 -76.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.03 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.585 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 175.92 84.09 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 O-C-N 123.715 0.635 . . . . 0.0 110.294 169.728 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -148.79 140.58 14.48 Favored Pre-proline 0 C--O 1.235 0.317 0 O-C-N 121.085 -1.009 . . . . 0.0 110.023 175.352 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 21.2 Cg_exo -66.64 154.86 72.94 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.869 2.38 . . . . 0.0 110.974 169.416 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -53.14 -43.39 66.92 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.197 0.453 . . . . 0.0 111.569 -175.717 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' ' 19' ' ' PRO . 5.6 p-10 -57.91 -40.0 79.3 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.356 -179.258 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -66.61 -39.94 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.438 177.272 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 28.9 t -62.93 -40.4 97.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.205 0.526 . . . . 0.0 109.684 178.154 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -64.03 -31.54 72.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.76 179.084 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -78.31 -27.34 47.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.918 0.39 . . . . 0.0 111.169 -175.481 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 40.4 ttp -90.59 -49.55 6.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.747 0.308 . . . . 0.0 111.608 178.78 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.4 m -86.17 -25.3 25.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -170.353 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.507 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 31.2 t -67.9 -51.21 29.59 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.504 -179.693 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.507 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 62.8 Cg_exo -57.65 -16.86 26.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 121.972 1.782 . . . . 0.0 112.863 175.753 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.417 HD21 ' C ' ' A' ' 30' ' ' LEU . 4.0 tt -70.34 -56.43 6.73 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.756 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.778 -176.762 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 CA--C 1.52 -0.183 0 CA-C-O 120.814 0.34 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -67.0 -33.34 75.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.092 0.473 . . . . 0.0 110.236 179.465 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.14 95.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.766 176.521 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -65.55 -34.03 77.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.962 179.659 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -67.09 -43.06 83.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.171 175.846 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -59.76 -51.79 68.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 -179.1 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.532 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 53.5 m-85 -70.0 -24.65 63.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.865 -178.036 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -78.39 -49.51 13.4 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.004 179.817 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.468 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -81.46 -23.14 37.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -172.763 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.446 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.7 p -56.05 -53.03 61.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.645 0.26 . . . . 0.0 111.154 -175.668 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -72.62 -28.82 63.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.553 0.216 . . . . 0.0 111.107 178.898 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.8 -41.57 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.452 178.325 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -65.71 -75.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.485 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tttp 173.67 85.53 0.0 OUTLIER 'General case' 0 C--O 1.23 0.041 0 O-C-N 123.827 0.705 . . . . 0.0 110.082 165.912 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER -145.75 143.28 19.33 Favored Pre-proline 0 C--O 1.236 0.367 0 CA-C-N 118.424 0.556 . . . . 0.0 109.605 174.118 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.38 153.12 79.67 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.837 2.358 . . . . 0.0 111.468 171.119 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -55.7 -44.01 76.99 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.093 0.406 . . . . 0.0 111.188 -176.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -59.44 -35.64 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.902 -179.542 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -71.78 -39.71 69.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.363 175.367 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.532 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 34.7 t -59.52 -42.19 91.7 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.733 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -58.68 -36.52 74.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.628 177.802 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -74.04 -31.61 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -173.562 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 ttp -82.58 -45.39 14.66 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.179 179.57 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 24.0 m -81.65 -17.78 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -172.873 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.671 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.4 p -61.09 -50.39 84.59 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.31 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.671 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -60.22 -16.68 41.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.133 1.888 . . . . 0.0 112.915 177.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 tp -85.96 -55.63 3.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.665 178.773 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.628 -175.716 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.681 0.277 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -66.13 -45.83 79.67 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.383 179.722 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.77 89.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.325 177.92 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -64.12 -40.59 96.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.794 179.412 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -67.81 -40.68 83.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 110.374 179.432 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.8 t -58.77 -56.2 25.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.541 -178.381 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -70.57 -24.53 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 111.297 -177.725 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' O ' HG22 ' A' ' 15' ' ' VAL . 13.6 tp10 -65.66 -62.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.114 0.483 . . . . 0.0 110.074 176.642 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.492 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -74.68 -24.99 58.87 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -170.972 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -56.98 -58.02 9.99 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.107 -174.123 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -28.22 63.36 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.455 178.829 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 11' ' ' GLU . 79.4 t -65.65 -37.82 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.394 0.14 . . . . 0.0 110.663 177.963 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -64.66 -74.27 0.11 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.332 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 17' ' ' LYS . 19.4 pttp 175.46 84.49 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.913 0.758 . . . . 0.0 110.133 165.393 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -148.27 145.16 19.83 Favored Pre-proline 0 C--O 1.235 0.339 0 O-C-N 121.794 -0.566 . . . . 0.0 109.626 176.07 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.73 154.28 75.02 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.754 2.302 . . . . 0.0 110.946 168.668 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -57.08 -40.05 76.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.012 0.369 . . . . 0.0 111.171 -177.076 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.4 p30 -57.41 -45.68 84.33 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.525 178.291 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -60.31 -40.36 90.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.977 0.418 . . . . 0.0 110.512 175.992 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.0 t -62.26 -45.7 92.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.781 178.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -63.86 -35.29 80.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.951 178.818 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 88.8 mt-30 -64.38 -40.27 95.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.806 0.336 . . . . 0.0 110.647 -175.588 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 59.9 mtm -88.21 -33.67 18.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.501 -179.704 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 t -87.29 -13.22 44.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -173.132 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.573 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 4.0 p -58.4 -47.83 98.08 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.992 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.573 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 71.6 Cg_exo -54.89 -18.25 16.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.923 1.749 . . . . 0.0 113.223 176.176 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -90.49 -65.02 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.42 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.995 -172.531 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.948 0.404 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.443 HE21 ' HA ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -67.68 -31.23 71.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.81 -179.304 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.51 96.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 175.551 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -64.6 -39.55 93.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.989 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -65.47 -40.37 93.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.315 177.004 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.8 t -61.2 -51.78 67.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.309 -179.051 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.519 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 52.4 m-85 -69.68 -24.43 63.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.887 -178.196 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 15' ' ' VAL . 11.9 tp10 -76.68 -59.14 2.9 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.946 0.403 . . . . 0.0 110.337 -179.553 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.578 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -76.52 -18.69 58.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -171.58 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.463 ' O ' HG11 ' A' ' 18' ' ' VAL . 32.1 p -57.82 -57.99 10.34 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.664 0.269 . . . . 0.0 110.611 -177.353 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.564 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -76.37 -27.07 56.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.476 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.564 ' N ' HD21 ' A' ' 14' ' ' ASN . 79.5 t -66.12 -40.07 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.864 0.364 . . . . 0.0 110.054 177.308 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.471 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 50.2 t-20 -71.5 -73.48 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.708 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 66.9 tttp 175.43 86.04 0.0 OUTLIER 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.662 0.601 . . . . 0.0 110.528 171.052 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.463 HG11 ' O ' ' A' ' 13' ' ' CYS . 1.1 m -149.81 144.6 17.88 Favored Pre-proline 0 C--O 1.235 0.304 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 172.266 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.415 ' O ' HG23 ' A' ' 18' ' ' VAL . 21.8 Cg_exo -64.71 152.26 82.65 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.344 2.029 . . . . 0.0 111.175 170.65 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -54.55 -41.65 70.02 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 117.678 0.217 . . . . 0.0 110.864 -178.632 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -61.18 -38.51 86.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.798 -179.826 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -66.89 -39.92 87.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.89 0.376 . . . . 0.0 110.217 176.752 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.519 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 17.2 t -61.87 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.072 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -66.58 -28.32 68.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.483 177.133 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.577 ' HA ' HE21 ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.27 -36.48 66.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 -176.976 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.2 mtm -92.23 -50.3 5.74 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 179.864 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.9 m -77.64 -26.58 50.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -170.893 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.475 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 10.3 t -68.19 -48.11 37.77 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.78 -178.113 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.475 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 58.5 Cg_exo -58.89 -11.07 11.14 Favored 'Trans proline' 0 C--N 1.362 1.244 0 C-N-CA 122.374 2.049 . . . . 0.0 113.06 172.972 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -87.79 -56.53 3.3 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.08 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.595 -173.716 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 120.421 0.153 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -66.63 -34.45 77.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.264 0.554 . . . . 0.0 110.134 -179.362 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.56 -43.03 64.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.284 176.857 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.5 -37.4 87.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.128 179.29 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -64.24 -39.94 95.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.13 177.281 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.3 t -64.07 -51.48 63.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.228 -179.583 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.504 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 57.2 m-85 -67.9 -23.33 65.09 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.708 0.289 . . . . 0.0 111.571 -179.149 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 15' ' ' VAL . 9.7 tp10 -75.94 -62.53 1.57 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.197 0.522 . . . . 0.0 110.222 178.14 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.498 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -73.8 -19.14 60.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.514 -170.626 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 30.4 p -56.28 -59.24 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.742 -177.148 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.649 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -74.72 -27.1 60.23 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.416 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.649 ' N ' HD21 ' A' ' 14' ' ' ASN . 75.2 t -65.56 -40.46 88.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.521 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 14.2 m120 -67.1 -74.19 0.12 Allowed 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 176.673 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 15.2 mttp 174.63 86.53 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 O-C-N 124.002 0.814 . . . . 0.0 110.59 166.091 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -144.87 144.81 25.41 Favored Pre-proline 0 C--O 1.234 0.258 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 172.234 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.24 153.61 73.07 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.464 2.109 . . . . 0.0 110.978 170.605 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -57.29 -41.8 80.48 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.876 -177.603 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.6 p30 -58.96 -38.49 79.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.208 178.883 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -66.23 -40.47 90.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.818 0.342 . . . . 0.0 110.572 175.787 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 18.2 t -61.08 -40.62 94.37 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.001 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.405 ' O ' ' HB2' ' A' ' 28' ' ' SER . 47.5 t80 -66.24 -26.06 67.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.005 177.392 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 11.1 mm100 -80.54 -29.69 37.15 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.559 -0.713 . . . . 0.0 110.816 -178.251 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.5 ttp -91.61 -53.04 4.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.347 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 33.8 m -82.95 -28.18 30.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.022 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.482 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 19.3 m -67.64 -49.13 41.26 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -177.615 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 78.4 Cg_exo -56.67 -23.55 49.81 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 121.749 1.633 . . . . 0.0 112.409 173.416 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 1.8 tt -72.18 -59.69 2.61 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 176.184 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.851 -174.738 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.555 HE21 ' HA ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.451 0.167 . . . . 0.0 111.41 . . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.96 -32.55 73.87 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.641 -177.345 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.88 93.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.998 174.357 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -64.64 -34.77 79.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.242 178.197 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -62.95 -43.47 98.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.2 177.557 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.1 t -60.54 -46.55 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.048 178.854 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 47.3 m-85 -73.34 -28.45 62.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.284 -178.852 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 15' ' ' VAL . 30.5 tt0 -72.88 -49.67 28.45 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.486 179.434 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.524 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -79.91 -19.24 48.58 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -171.416 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 24.6 p -62.69 -55.96 22.02 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.615 -177.066 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.625 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -73.06 -26.04 61.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.639 179.506 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.625 ' N ' HD21 ' A' ' 14' ' ' ASN . 42.9 t -61.82 -44.78 99.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 176.705 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -70.0 -76.92 0.09 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.704 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 pttm 174.64 86.61 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.241 0.616 . . . . 0.0 110.472 168.884 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.1 m -140.87 143.47 31.91 Favored Pre-proline 0 C--N 1.327 -0.375 0 O-C-N 121.519 -0.738 . . . . 0.0 109.463 173.679 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.55 154.19 74.86 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.527 2.152 . . . . 0.0 111.39 172.031 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -53.19 -41.22 65.04 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.512 0.196 . . . . 0.0 111.249 -178.668 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -57.07 -48.9 77.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.204 179.736 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -61.82 -41.34 97.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.732 0.301 . . . . 0.0 110.442 177.673 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.7 t -62.24 -42.98 99.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.143 0.497 . . . . 0.0 109.859 179.457 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -64.83 -37.86 89.03 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.273 178.377 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -74.34 -31.58 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.659 0.266 . . . . 0.0 111.447 -174.086 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 ttp -81.1 -45.5 16.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.205 179.445 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 16.8 m -86.36 -11.73 51.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -173.898 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.657 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.0 p -60.14 -50.43 86.16 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.523 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.657 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 67.4 Cg_exo -56.07 -25.89 56.76 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 121.897 1.732 . . . . 0.0 112.492 178.254 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.45 ' C ' HD22 ' A' ' 30' ' ' LEU . 4.1 tt -78.07 -58.55 3.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.267 179.187 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.256 -175.159 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 . . . . . 0 CA--C 1.516 -0.347 0 N-CA-C 111.265 0.098 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -63.96 -41.07 97.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.85 0.357 . . . . 0.0 110.626 179.401 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.12 -45.74 83.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.513 177.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -67.34 -38.86 85.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.019 -179.056 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.01 -42.11 99.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.25 178.489 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.3 t -60.28 -56.31 23.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.808 178.241 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -68.64 -18.9 64.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.711 -175.46 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -79.54 -56.06 4.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.65 173.936 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.488 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -81.62 -18.65 43.95 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -171.384 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -53.88 -53.69 49.13 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.591 0.234 . . . . 0.0 111.147 -175.955 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -72.26 -28.94 63.46 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.158 178.479 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.2 t -66.55 -37.35 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.75 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.5 m120 -70.35 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.152 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 22.8 ttpp 175.77 83.7 0.0 OUTLIER 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.646 0.591 . . . . 0.0 110.355 166.943 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.588 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -154.94 142.45 13.92 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 174.085 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.484 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.0 Cg_exo -66.61 153.62 77.33 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.715 2.277 . . . . 0.0 111.119 168.744 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.521 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 49.8 t80 -56.99 -38.2 72.72 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -177.092 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -58.94 -37.39 76.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.853 0.359 . . . . 0.0 110.412 177.251 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.588 ' OE1' ' HB ' ' A' ' 18' ' ' VAL . 64.8 tt0 -72.75 -33.93 66.69 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.319 176.306 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.521 ' SG ' ' HA ' ' A' ' 20' ' ' PHE . 56.5 m -55.72 -45.2 77.99 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.756 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -64.77 -40.79 95.85 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.999 179.423 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -64.3 -35.5 81.05 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.873 -174.111 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.2 ttp -83.76 -42.94 15.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.918 -177.919 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 97.0 m -103.97 6.89 36.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -172.852 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.65 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.1 p -56.67 -47.42 99.03 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.854 171.979 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.65 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 47.8 Cg_exo -62.44 -12.03 25.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.16 1.907 . . . . 0.0 112.848 174.789 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -89.76 -59.87 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.235 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.018 -174.841 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.675 0.274 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.97 -41.46 97.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.205 0.526 . . . . 0.0 110.273 178.175 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.62 87.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.231 176.891 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -63.07 -35.48 80.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.458 179.168 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -62.96 -43.32 99.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.401 176.124 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.27 -49.21 74.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 -179.039 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.584 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 55.7 m-85 -67.46 -27.71 67.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.55 179.79 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.552 ' O ' HG22 ' A' ' 15' ' ' VAL . 39.7 tt0 -71.02 -55.27 8.65 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.124 176.941 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.524 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -70.64 -27.59 64.16 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -171.562 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.9 p -63.49 -50.37 69.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.391 . . . . 0.0 110.041 -179.229 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.22 -29.57 62.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.893 177.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 11' ' ' GLU . 44.9 t -63.36 -40.91 90.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.33 176.982 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.417 ' N ' HD21 ' A' ' 16' ' ' ASN . 0.9 OUTLIER -74.6 -77.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.818 179.002 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 173.95 86.23 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.626 0.579 . . . . 0.0 111.043 170.614 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -145.21 144.58 23.88 Favored Pre-proline 0 CA--C 1.534 0.356 0 O-C-N 121.654 -0.654 . . . . 0.0 109.745 174.072 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.99 154.21 75.38 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.852 2.368 . . . . 0.0 111.821 172.315 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -55.41 -44.67 76.41 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.923 0.329 . . . . 0.0 111.584 -175.842 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -57.75 -41.46 81.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.642 0.258 . . . . 0.0 111.148 -178.386 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.02 -38.28 79.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 176.505 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.584 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 21.9 t -61.85 -42.58 99.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.073 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -59.25 -39.21 82.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.042 177.003 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -62.53 -40.65 97.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.925 0.393 . . . . 0.0 110.749 -177.117 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.44 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 39.2 ttp -82.13 -44.17 16.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.681 -176.76 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.0 m -80.9 -21.22 40.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -173.656 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.668 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.5 p -60.23 -47.87 95.59 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.678 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.668 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 66.0 Cg_exo -57.11 -20.35 37.41 Favored 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 122.392 2.061 . . . . 0.0 113.182 178.157 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.65 -59.84 2.59 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.233 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.245 -174.415 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 120.498 0.19 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -64.92 -34.75 79.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 110.395 -177.598 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.24 84.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.249 176.844 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -62.39 -38.56 90.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.701 179.214 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.55 -38.17 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.707 177.583 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -57.67 -47.86 81.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 178.082 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.492 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 53.0 m-85 -68.9 -20.17 64.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.461 179.775 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -81.68 -51.43 8.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.766 176.496 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.478 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -80.11 -17.78 51.65 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -171.386 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 p -57.48 -55.85 29.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.618 0.247 . . . . 0.0 110.976 -175.76 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.672 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -71.54 -27.46 63.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.493 0.187 . . . . 0.0 111.179 177.152 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.672 ' N ' HD21 ' A' ' 14' ' ' ASN . 42.7 t -62.57 -42.65 96.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.39 177.975 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.518 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.9 m120 -69.37 -73.77 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.807 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.4 tttt 175.1 85.43 0.0 OUTLIER 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.669 0.605 . . . . 0.0 110.265 168.609 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -149.67 146.77 21.25 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-N 118.167 0.439 . . . . 0.0 109.879 174.779 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.491 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 13.5 Cg_exo -71.31 154.65 61.24 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.75 2.3 . . . . 0.0 111.135 168.254 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -52.52 -41.46 63.49 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.196 0.453 . . . . 0.0 111.857 -174.74 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.491 ' OD1' ' HB2' ' A' ' 19' ' ' PRO . 8.6 p-10 -58.78 -41.92 87.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.157 -178.673 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -67.34 -36.89 82.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.369 . . . . 0.0 110.09 176.108 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 38.9 t -58.46 -43.79 89.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.771 177.933 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -62.05 -42.88 99.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.558 177.212 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -74.98 -21.89 58.87 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.671 -171.283 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.5 ttp -90.39 -45.76 8.8 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.241 176.691 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -82.82 -26.13 32.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.66 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.503 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 23.2 t -62.62 -51.46 72.24 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-O 119.038 -0.506 . . . . 0.0 112.088 -177.773 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 89.3 Cg_exo -53.58 -32.76 65.51 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 122.083 1.855 . . . . 0.0 112.816 176.277 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.25 -51.02 61.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.775 176.367 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 . . . . . 0 C--N 1.319 -0.754 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.013 -174.129 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.817 0.342 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.19 -41.08 74.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.801 -179.761 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.02 94.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.126 176.677 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.18 -32.22 73.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.124 178.597 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -62.91 -43.81 97.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.389 178.284 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 t -60.06 -52.01 67.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.408 177.991 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.576 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 69.1 m-85 -68.67 -29.11 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.694 -176.254 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' O ' HG21 ' A' ' 15' ' ' VAL . 35.7 tt0 -69.87 -52.0 28.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.764 0.316 . . . . 0.0 110.416 176.108 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.513 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -81.16 -21.56 39.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -170.629 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -60.74 -50.1 74.85 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.931 -175.286 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -72.27 -29.03 63.51 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.918 178.194 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 11' ' ' GLU . 68.9 t -66.29 -36.32 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.378 179.206 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -73.5 -75.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 175.353 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 177.74 84.35 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.556 0.535 . . . . 0.0 111.017 169.33 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -149.09 141.66 15.33 Favored Pre-proline 0 C--O 1.236 0.372 0 O-C-N 121.333 -0.854 . . . . 0.0 109.721 172.072 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -68.21 154.96 71.09 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.948 2.432 . . . . 0.0 111.302 168.739 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -53.22 -44.51 68.11 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 117.987 0.358 . . . . 0.0 111.3 -177.847 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 3.8 p30 -56.98 -41.32 78.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.954 -179.659 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -66.18 -40.54 90.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.531 177.15 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 9.0 t -63.07 -40.05 96.53 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.819 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -64.06 -38.57 91.57 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.874 176.402 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 15.9 mm100 -71.32 -22.04 61.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.049 -173.031 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.0 ttp -90.81 -52.56 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.975 179.365 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.7 m -103.21 6.32 38.19 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -170.879 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.609 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 29.9 p -59.28 -44.98 99.13 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 119.627 -0.829 . . . . 0.0 111.592 172.687 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.609 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 75.2 Cg_exo -55.38 -22.62 34.62 Favored 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 121.795 1.664 . . . . 0.0 112.525 175.265 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.3 -61.2 2.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.122 177.722 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.175 -173.21 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -161.9 76.4 2.23 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-O 120.695 0.283 . . . . 0.0 110.674 -175.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -56.31 -25.5 56.95 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.346 2.031 . . . . 0.0 112.179 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -67.21 -42.75 83.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.672 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -65.9 -36.42 83.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.511 178.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.97 81.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.271 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -63.7 -34.61 78.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.266 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.4 -43.53 94.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.361 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.4 t -64.41 -49.46 71.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.36 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 63.5 m-85 -67.47 -23.31 65.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.721 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.575 ' O ' HG21 ' A' ' 15' ' ' VAL . 42.6 tt0 -82.3 -54.07 5.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.696 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.502 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -70.17 -23.15 62.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -172.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 p -59.5 -51.78 68.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.745 0.307 . . . . 0.0 110.558 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -79.7 -28.84 40.61 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.146 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.575 HG21 ' O ' ' A' ' 11' ' ' GLU . 78.7 t -61.26 -41.96 91.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.55 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.0 m120 -71.13 -76.87 0.1 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.55 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 81.7 tttt 172.45 87.29 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.681 0.613 . . . . 0.0 110.545 166.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -141.73 145.29 36.36 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 118.47 0.577 . . . . 0.0 109.521 172.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.69 152.43 69.28 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 123.04 2.494 . . . . 0.0 111.97 172.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -56.19 -44.37 79.36 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.544 0.211 . . . . 0.0 111.337 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.99 -38.06 87.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.031 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -68.62 -36.29 78.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.117 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.513 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 44.8 t -61.69 -47.22 86.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -61.57 -34.73 76.09 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.064 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.85 -38.64 89.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.008 0.432 . . . . 0.0 110.806 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.467 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 40.7 ttp -85.69 -43.33 13.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.783 -177.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.3 m -82.08 -20.12 38.81 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -172.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.646 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.7 p -58.92 -46.45 99.53 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.646 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 71.5 Cg_exo -54.36 -37.34 88.92 Favored 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 121.925 1.75 . . . . 0.0 112.529 177.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -68.96 -57.6 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.281 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.42 -62.12 1.71 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.552 -173.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.686 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 0.8 OUTLIER -151.45 106.03 3.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.922 0.392 . . . . 0.0 111.642 -178.481 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 C--N 1.323 -0.546 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 171.59 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -159.82 68.46 2.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -57.2 -26.33 69.13 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.51 2.14 . . . . 0.0 113.376 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.32 -36.78 85.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.593 0.235 . . . . 0.0 111.415 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -65.27 -42.21 93.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.269 0.557 . . . . 0.0 110.197 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.73 91.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.472 176.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -63.81 -35.29 80.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.151 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.64 -40.72 97.89 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.419 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.07 -47.42 82.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.661 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.7 m-85 -69.48 -24.49 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.5 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.515 ' O ' HG22 ' A' ' 15' ' ' VAL . 10.8 tp10 -69.11 -64.08 0.94 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.14 0.495 . . . . 0.0 110.242 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.519 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -71.14 -23.65 62.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.442 -169.819 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 28.5 p -61.43 -51.94 66.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 110.203 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.421 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.8 t-20 -72.8 -27.96 62.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 11' ' ' GLU . 60.1 t -66.68 -38.08 80.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.669 0.271 . . . . 0.0 110.737 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -73.86 -76.64 0.13 Allowed 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.855 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.1 pttp 174.91 85.35 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.786 0.679 . . . . 0.0 110.213 172.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -146.1 143.14 18.67 Favored Pre-proline 0 C--O 1.236 0.388 0 O-C-N 121.561 -0.712 . . . . 0.0 109.788 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.91 153.44 75.75 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.806 2.337 . . . . 0.0 111.384 170.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.83 -42.23 79.27 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.2 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.481 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.9 p30 -59.98 -40.74 90.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.643 0.259 . . . . 0.0 110.406 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -63.48 -40.6 97.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.965 0.412 . . . . 0.0 110.166 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.661 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 22.2 t -62.53 -44.38 96.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -57.9 -37.86 74.78 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.171 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 98.6 mt-30 -68.39 -36.17 78.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.827 0.346 . . . . 0.0 110.707 -174.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.0 ttp -85.6 -37.11 19.9 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.655 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.8 m -84.65 -20.56 31.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.602 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 17.8 p -61.94 -44.69 90.82 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.602 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 58.2 Cg_exo -57.95 -23.43 59.81 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 121.935 1.757 . . . . 0.0 112.674 174.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.32 -63.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.72 -42.71 85.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.836 -175.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.526 ' HA ' ' HE ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 60.13 83.44 0.14 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.268 0.556 . . . . 0.0 111.506 177.404 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.7 p . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.167 175.426 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.743 0.306 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -152.56 70.61 7.4 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -53.87 -22.31 23.51 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 123.162 2.575 . . . . 0.0 113.796 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 4' ' ' GLN . 15.0 mm-40 -65.48 -28.58 69.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -68.73 -38.8 80.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.211 0.529 . . . . 0.0 109.965 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.3 -43.08 87.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.171 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -63.02 -35.47 80.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.319 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.41 -42.58 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.36 -50.39 73.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.46 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 52.8 m-85 -66.63 -35.68 80.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.522 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 15' ' ' VAL . 8.6 tp10 -65.4 -50.11 66.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.654 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.417 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 17.2 mm100 -64.01 -21.88 66.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.435 -177.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.487 ' HB3' HG23 ' A' ' 18' ' ' VAL . 61.2 m -57.94 -51.43 69.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.294 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.25 -28.5 38.44 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.985 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.417 ' HB ' ' HA ' ' A' ' 12' ' ' GLN . 55.3 t -57.45 -48.06 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.289 0.368 . . . . 0.0 110.42 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.0 m120 -80.34 -80.56 0.13 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.829 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 64.1 tttp 170.36 87.79 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.44 0.696 . . . . 0.0 110.287 168.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.487 HG23 ' HB3' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -137.52 144.94 47.07 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 119.372 0.987 . . . . 0.0 110.04 174.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.426 ' O ' HG22 ' A' ' 18' ' ' VAL . 24.3 Cg_exo -63.8 150.32 88.7 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.629 2.219 . . . . 0.0 111.334 172.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -58.76 -41.26 86.14 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -61.6 -37.61 84.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.671 0.272 . . . . 0.0 110.484 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -65.24 -43.13 92.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.291 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.4 t -63.08 -42.93 99.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.2 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -60.8 -32.14 71.49 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.42 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -71.07 -30.88 67.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.0 ttp -90.61 -48.01 7.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.985 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.0 m -82.6 -23.31 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -171.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.496 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 19.6 t -63.19 -49.47 80.06 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.762 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.496 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 60.9 Cg_exo -57.64 -14.98 18.84 Favored 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 122.05 1.833 . . . . 0.0 113.159 176.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tt -85.02 -58.43 2.7 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.46 -30.31 69.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.475 -175.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -115.35 153.21 31.41 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.317 -0.836 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 178.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.711 0.291 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.449 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 61.7 m -152.21 58.03 2.42 Favored Pre-proline 0 CA--C 1.538 0.503 0 O-C-N 122.407 -0.183 . . . . 0.0 111.351 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 2' ' ' SER . 39.6 Cg_exo -59.24 -55.29 1.95 Allowed 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.597 2.198 . . . . 0.0 113.26 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.453 ' NE2' ' H ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -57.66 -35.47 70.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.788 -177.256 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -76.92 -34.54 57.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.143 0.497 . . . . 0.0 110.275 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.37 90.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.822 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -62.57 -34.2 76.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.799 178.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 85.6 t80 -67.0 -40.94 87.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.348 175.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.2 t -59.31 -47.51 85.13 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.407 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 59.2 m-85 -71.45 -29.61 65.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.841 -178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.54 -53.15 17.26 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.637 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.469 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.34 -19.49 46.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -169.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.7 p -57.28 -55.44 34.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.601 0.239 . . . . 0.0 111.048 -175.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -69.54 -28.97 66.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.655 0.264 . . . . 0.0 110.919 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.7 t -68.79 -39.26 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.398 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 14.7 m120 -67.87 -75.98 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 44.8 mttt 174.87 85.03 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.836 0.855 . . . . 0.0 109.993 171.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 m -149.16 142.72 16.26 Favored Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 118.528 0.604 . . . . 0.0 110.062 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -65.38 155.53 68.21 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.085 2.523 . . . . 0.0 111.463 168.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -55.76 -44.17 77.4 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.318 0.508 . . . . 0.0 111.785 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -60.14 -38.06 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.745 0.307 . . . . 0.0 111.068 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -64.61 -40.09 94.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.061 0.457 . . . . 0.0 110.012 173.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 35.9 t -61.41 -46.91 88.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.118 0.485 . . . . 0.0 109.708 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -63.26 -40.84 98.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.45 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.03 -24.27 60.7 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.866 -172.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.3 ttp -87.95 -44.0 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.599 0.238 . . . . 0.0 111.227 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.91 -24.68 30.65 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.652 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 35.7 p -62.44 -46.82 89.87 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.652 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -60.55 -14.24 29.8 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 122.068 1.845 . . . . 0.0 112.886 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.0 tp -87.31 -58.09 2.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.322 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -73.84 -49.28 25.84 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.077 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.574 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -98.27 64.14 1.6 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.391 0.615 . . . . 0.0 110.669 -170.36 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.388 176.738 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.644 0.259 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -169.83 83.1 0.61 Allowed Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.68 -178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -58.43 -17.45 33.96 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.065 1.843 . . . . 0.0 111.993 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -71.76 -49.75 36.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.131 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -63.46 -27.58 69.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.118 0.485 . . . . 0.0 110.479 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.08 88.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.86 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.44 -36.93 81.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.752 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -66.85 -43.4 83.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.275 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -56.5 -49.77 73.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.863 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.526 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.1 m-85 -68.85 -43.41 75.5 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.781 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.57 -38.5 91.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.998 -175.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -79.1 -18.27 53.61 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.656 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.3 m -55.05 -60.5 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.464 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.446 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.1 OUTLIER -70.72 -26.71 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.048 -178.616 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.72 -45.13 99.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.493 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 11.9 m120 -79.33 -77.08 0.18 Allowed 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.781 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.603 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 176.46 84.05 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.21 0.604 . . . . 0.0 110.296 170.364 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -161.61 127.67 2.36 Favored Pre-proline 0 C--O 1.235 0.332 0 O-C-N 121.315 -0.865 . . . . 0.0 110.353 175.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 34.6 Cg_exo -60.72 152.11 71.73 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.334 2.689 . . . . 0.0 112.503 176.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -55.44 -43.17 75.13 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -177.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -61.79 -42.39 98.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 111.334 -177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -69.28 -34.61 74.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.846 0.355 . . . . 0.0 110.375 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.1 t -64.22 -38.03 89.61 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' A' ' 28' ' ' SER . 23.0 t80 -56.99 -35.47 69.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.175 176.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -69.69 -30.48 68.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 35.6 ttp -91.33 -53.93 4.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 37.3 m -77.82 -26.07 49.29 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 33.4 m -62.99 -50.66 75.74 Favored Pre-proline 0 CA--C 1.534 0.354 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.24 -39.46 62.12 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.962 1.775 . . . . 0.0 112.493 174.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 16.2 tp -56.44 -56.13 25.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.099 175.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -76.86 -54.23 6.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.98 -173.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.486 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 4.3 mmp_? -99.06 81.59 2.61 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.928 0.394 . . . . 0.0 110.154 -178.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.509 176.836 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -157.48 86.98 2.64 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -48.69 -35.23 29.5 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.051 2.5 . . . . 0.0 113.706 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -59.31 -25.74 64.4 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -76.19 -42.84 44.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.165 0.507 . . . . 0.0 109.933 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.66 86.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.337 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.87 -37.17 83.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -65.7 -43.52 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.6 t -62.87 -51.26 67.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.539 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.1 m-85 -67.74 -30.72 70.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.194 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -72.18 -49.45 35.47 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.483 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.85 -23.45 39.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -173.77 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -58.77 -56.5 21.41 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.922 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.617 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -72.03 -26.4 62.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 178.745 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.617 ' N ' HD21 ' A' ' 14' ' ' ASN . 49.8 t -67.6 -38.58 80.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.422 0.153 . . . . 0.0 110.778 177.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -68.27 -75.17 0.11 Allowed 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.215 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 88.6 tttt 174.38 85.4 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 O-C-N 123.794 0.683 . . . . 0.0 109.885 167.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -147.1 145.29 21.64 Favored Pre-proline 0 C--O 1.236 0.367 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.306 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' O ' HG21 ' A' ' 18' ' ' VAL . 24.5 Cg_exo -64.25 149.17 90.75 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.893 2.395 . . . . 0.0 111.034 170.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -58.74 -39.8 81.95 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.639 0.257 . . . . 0.0 111.185 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -61.31 -34.67 75.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.862 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.405 ' NE2' ' HD2' ' A' ' 19' ' ' PRO . 7.0 tt0 -73.31 -37.78 66.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.503 175.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 26.6 t -59.34 -39.61 83.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -65.97 -17.63 64.81 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.541 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -81.43 -40.53 23.23 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.889 -0.507 . . . . 0.0 110.004 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.2 ttp -87.72 -42.87 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.181 -175.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.8 m -83.13 -16.44 46.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.658 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 30.2 p -61.76 -46.99 93.14 Favored Pre-proline 0 CA--C 1.543 0.678 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.658 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 51.3 Cg_exo -58.41 -21.65 54.65 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.894 1.73 . . . . 0.0 112.791 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 tt -80.72 -56.81 3.89 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.89 -35.3 78.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.279 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -135.2 90.09 2.59 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.412 -178.082 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -161.71 52.26 0.38 Allowed Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -70.29 -51.34 0.35 Allowed 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.772 1.648 . . . . 0.0 113.082 -176.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.469 HE21 ' HA ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -67.41 -38.95 85.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.122 -176.566 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.78 -43.64 98.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.108 0.48 . . . . 0.0 110.474 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.77 86.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.554 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -64.73 -38.15 90.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.072 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -64.34 -43.09 95.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.359 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.0 t -58.92 -46.98 86.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.954 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.555 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.3 m-85 -72.03 -38.31 69.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.016 -178.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 15' ' ' VAL . 31.6 tt0 -65.22 -45.15 85.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.527 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.521 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -68.09 -21.43 64.97 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.214 -176.78 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' CA ' HG13 ' A' ' 18' ' ' VAL . 49.6 m -59.31 -52.14 66.93 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.131 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -77.25 -28.55 53.61 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.939 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 11' ' ' GLU . 73.2 t -62.37 -45.47 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.253 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 77.9 m-20 -81.74 -77.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.286 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 56.3 tttm 172.88 86.94 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 O-C-N 123.452 0.47 . . . . 0.0 110.54 170.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.422 HG13 ' CA ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -159.38 130.94 3.99 Favored Pre-proline 0 N--CA 1.466 0.352 0 O-C-N 121.709 -0.619 . . . . 0.0 110.637 176.059 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.64 152.15 64.63 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.659 2.906 . . . . 0.0 112.765 177.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.33 -39.6 83.64 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.726 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -65.11 -42.24 94.14 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.236 -0.186 . . . . 0.0 111.091 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -70.15 -36.07 74.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 110.304 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.555 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 12.1 t -60.62 -41.99 95.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -57.92 -35.46 71.1 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.218 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -66.12 -35.24 79.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.151 0.5 . . . . 0.0 110.211 -175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.408 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 34.3 ttp -90.15 -43.63 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.071 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.5 m -81.96 -16.09 51.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -174.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.668 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.8 p -58.47 -49.82 91.42 Favored Pre-proline 0 CA--C 1.541 0.635 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.783 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.668 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 73.2 Cg_exo -54.89 -29.2 62.45 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 122.028 1.819 . . . . 0.0 112.984 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -70.67 -54.16 12.94 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -70.98 -47.99 55.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.658 -173.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -145.39 126.53 14.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.834 0.35 . . . . 0.0 110.444 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.822 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.083 0.468 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.531 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 11.4 t -165.12 68.74 1.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.71 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -56.17 -26.88 62.87 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.307 2.005 . . . . 0.0 112.881 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.578 HE21 ' HA ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -69.0 -38.59 79.38 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.127 -178.28 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 2' ' ' SER . 1.7 pt20 -66.15 -31.77 72.81 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.228 0.537 . . . . 0.0 109.931 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.13 -44.63 71.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.176 174.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -61.32 -38.2 86.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.239 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -61.43 -38.67 87.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.213 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.7 t -63.13 -49.09 75.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.13 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.626 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.4 m-85 -72.22 -22.98 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.005 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.9 tm-20 -81.96 -51.42 8.08 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -78.05 -19.84 53.51 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 p -59.45 -53.93 52.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.678 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -73.33 -28.76 62.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.017 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 11' ' ' GLU . 53.5 t -62.63 -40.78 89.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.648 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.485 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.4 m120 -68.69 -75.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.6 tttt 174.44 86.38 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.582 0.552 . . . . 0.0 110.081 167.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -145.5 145.32 25.61 Favored Pre-proline 0 C--O 1.235 0.307 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 173.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.37 154.51 73.31 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.77 2.313 . . . . 0.0 111.653 171.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -55.3 -44.56 75.85 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 117.557 0.162 . . . . 0.0 111.373 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.573 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.9 p-10 -59.4 -39.99 85.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.756 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -65.38 -41.03 94.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.992 0.425 . . . . 0.0 110.428 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.626 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.0 t -60.61 -42.95 97.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.246 0.546 . . . . 0.0 109.531 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -63.54 -28.71 70.13 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.59 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 75.0 mt-30 -73.03 -37.15 67.02 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.747 -175.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 56.7 mtm -86.06 -41.87 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.721 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.8 m -84.17 -12.22 55.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -173.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.662 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.8 p -62.5 -50.26 79.6 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.662 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.7 Cg_exo -58.64 -21.94 58.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 121.645 1.563 . . . . 0.0 112.363 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -80.85 -63.47 1.4 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -70.18 -37.04 75.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.609 -173.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 59.21 74.36 0.44 Allowed 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 -174.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 m . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.438 -178.386 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.572 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 71.1 m -153.38 65.51 5.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 C-N-CA 121.258 -0.177 . . . . 0.0 111.005 -178.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -57.28 -28.19 78.63 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.351 2.034 . . . . 0.0 113.441 -176.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -67.71 -33.33 74.69 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.9 pt20 -69.49 -37.91 77.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.39 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.62 -43.61 76.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.054 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -62.64 -31.5 72.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.026 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.449 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 63.7 t80 -67.35 -41.54 85.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.442 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.53 -46.79 88.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.193 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.568 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 85.2 m-85 -74.4 -24.07 59.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.904 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.488 ' O ' HG21 ' A' ' 15' ' ' VAL . 5.8 pt-20 -76.57 -47.67 21.75 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.611 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.529 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -75.69 -26.03 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.226 -0.296 . . . . 0.0 111.573 -172.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 p -59.81 -55.19 37.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.475 0.179 . . . . 0.0 110.974 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.62 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -73.36 -26.55 61.06 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.612 179.087 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.62 ' N ' HD21 ' A' ' 14' ' ' ASN . 36.9 t -62.63 -42.37 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 11.6 m120 -70.93 -76.4 0.1 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.714 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.58 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.34 85.22 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 O-C-N 123.792 0.683 . . . . 0.0 110.078 168.8 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -144.56 142.32 19.09 Favored Pre-proline 0 C--O 1.235 0.29 0 O-C-N 120.843 -1.161 . . . . 0.0 110.365 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.72 154.99 72.54 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.846 2.364 . . . . 0.0 111.161 169.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.18 -42.56 66.32 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.123 0.419 . . . . 0.0 111.586 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.528 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 6.6 p-10 -58.71 -40.5 83.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.52 0.2 . . . . 0.0 110.582 -178.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -65.67 -40.89 92.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.795 0.331 . . . . 0.0 110.525 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.568 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.6 t -61.43 -43.86 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.14 -30.69 71.21 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.595 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 21.9 mm-40 -70.28 -38.45 75.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.978 0.418 . . . . 0.0 110.733 -176.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.9 ttp -82.93 -39.53 21.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.741 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.1 m -86.12 -14.73 43.33 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -174.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.676 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 4.6 p -59.13 -51.19 83.48 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.676 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.9 Cg_exo -61.9 -12.8 27.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 121.99 1.794 . . . . 0.0 112.95 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -91.68 -65.69 0.99 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.271 0.557 . . . . 0.0 109.584 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -73.2 -54.45 8.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.91 -170.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -128.72 87.81 2.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.92 0.39 . . . . 0.0 110.849 -174.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 p . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.732 176.874 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.95 0.405 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -158.0 61.3 2.11 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.783 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.98 -54.77 4.51 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.91 2.407 . . . . 0.0 113.838 -174.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -58.15 -45.95 86.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.371 . . . . 0.0 111.418 -176.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 13.2 mm-40 -71.27 -40.26 71.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.004 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.26 86.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.812 0.339 . . . . 0.0 110.246 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -62.37 -39.48 93.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.012 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.525 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 55.4 t80 -66.5 -37.72 85.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.235 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.57 -50.58 73.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.663 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -78.31 -26.64 47.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.379 -175.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' A' ' 8' ' ' TYR . 10.5 pt-20 -74.18 -46.6 41.09 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.843 -178.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.528 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -79.83 -24.54 41.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -173.527 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.462 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.9 p -58.26 -53.58 56.72 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.059 -0.257 . . . . 0.0 111.126 -174.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.91 -28.79 61.71 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.639 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.1 t -66.32 -40.48 86.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 0.0 110.402 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 90.0 m-20 -70.08 -73.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 54.6 tttm 176.69 84.5 0.01 OUTLIER 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.355 0.409 . . . . 0.0 110.937 169.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.512 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -150.6 143.0 16.0 Favored Pre-proline 0 C--O 1.235 0.312 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.577 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.8 Cg_exo -65.99 148.22 85.49 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.472 2.115 . . . . 0.0 110.935 171.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.74 -42.08 74.87 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.23 0.468 . . . . 0.0 111.272 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -56.33 -44.1 79.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.995 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.512 ' OE1' ' HB ' ' A' ' 18' ' ' VAL . 35.8 tt0 -64.43 -38.08 89.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.228 177.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.8 t -63.26 -45.36 91.85 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.91 -40.19 94.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -66.19 -32.0 73.17 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.838 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.5 ttp -90.03 -41.36 11.75 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -92.45 -9.23 42.27 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -172.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.597 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.3 p -58.69 -43.73 98.19 Favored Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.597 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.5 Cg_exo -59.63 -11.16 13.4 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 121.863 1.709 . . . . 0.0 113.271 175.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -89.3 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -73.43 -31.6 63.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.574 -175.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -121.63 56.05 1.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.15 179.602 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 121.015 0.436 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.571 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 10.7 t -161.37 72.94 2.57 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -177.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -52.12 -28.73 34.21 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.777 2.318 . . . . 0.0 113.151 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -61.29 -30.99 70.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.575 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.2 pt20 -73.34 -26.87 61.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.09 0.471 . . . . 0.0 110.588 -177.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.4 95.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.613 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -64.68 -32.12 73.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.179 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -64.35 -45.31 88.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.127 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -60.79 -49.94 75.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.315 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.646 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.5 m-85 -70.36 -29.11 65.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.888 -178.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.2 tt0 -75.61 -52.78 9.78 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.813 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -76.59 -21.72 55.21 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -171.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' O ' HG12 ' A' ' 18' ' ' VAL . 31.7 p -60.04 -55.0 39.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.005 0.431 . . . . 0.0 110.163 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 4.5 t-20 -70.58 -28.95 65.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.632 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 11' ' ' GLU . 48.0 t -66.44 -44.33 90.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.75 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 15.2 m120 -65.37 -74.69 0.1 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 60.1 tttp 175.25 84.66 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 O-C-N 123.588 0.555 . . . . 0.0 110.469 166.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER -145.21 141.85 17.63 Favored Pre-proline 0 C--O 1.235 0.341 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 172.596 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -68.51 155.31 69.46 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.08 2.52 . . . . 0.0 111.757 170.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -51.59 -43.3 62.43 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.09 -39.87 87.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.37 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -69.07 -36.47 77.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.953 0.406 . . . . 0.0 110.102 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.646 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.5 t -62.41 -43.55 98.55 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -59.89 -36.04 76.1 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.212 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -65.54 -36.25 83.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 0.0 110.81 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.432 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 42.7 ttp -86.93 -42.4 13.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.708 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.9 m -84.64 -18.11 36.45 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -173.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.629 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 58.7 p -62.56 -44.27 86.55 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.629 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 78.2 Cg_exo -56.11 -20.68 31.79 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 121.962 1.775 . . . . 0.0 112.566 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 tt -90.71 -63.33 1.29 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -70.69 -59.26 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.055 -170.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -130.45 106.21 8.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.092 0.472 . . . . 0.0 111.553 -176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.451 ' OG ' ' HA ' ' A' ' 29' ' ' PRO . 73.1 m . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.018 174.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.48 0.181 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -174.34 73.47 0.33 Allowed Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.68 -31.18 94.28 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.666 2.244 . . . . 0.0 113.799 -176.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -76.75 -47.3 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.918 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.45 -32.71 74.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 110.156 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.26 99.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.636 176.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -65.08 -34.43 78.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.044 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -65.12 -45.11 86.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.075 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.3 t -56.78 -52.36 65.33 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.537 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.659 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m-85 -70.82 -19.29 62.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.005 -176.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' O ' HG22 ' A' ' 15' ' ' VAL . 39.5 tt0 -79.61 -50.53 10.53 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.641 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -80.56 -22.06 41.13 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -171.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.402 ' O ' HG12 ' A' ' 18' ' ' VAL . 26.9 p -60.29 -54.37 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.198 -0.201 . . . . 0.0 111.123 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -71.72 -28.57 63.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.571 0.224 . . . . 0.0 111.355 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 11' ' ' GLU . 55.7 t -64.01 -35.61 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.739 0.304 . . . . 0.0 110.26 176.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.2 m120 -75.33 -73.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 57.2 tttp 176.25 83.87 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.484 0.49 . . . . 0.0 110.372 170.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -152.47 142.7 15.15 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 172.58 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.429 ' O ' HG22 ' A' ' 18' ' ' VAL . 15.7 Cg_exo -68.82 154.73 70.57 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.762 2.308 . . . . 0.0 111.786 170.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -51.0 -46.09 61.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 117.723 0.238 . . . . 0.0 111.325 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.9 p30 -59.06 -41.37 87.77 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.205 -178.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -67.81 -35.41 78.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.868 0.366 . . . . 0.0 110.519 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.659 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 12.1 t -63.12 -41.38 99.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.28 -33.24 75.09 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.501 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 27.6 mt-30 -65.2 -36.04 82.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.054 0.454 . . . . 0.0 110.419 -175.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.5 ttp -82.85 -48.02 11.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.094 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.27 7.51 40.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -172.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.62 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.0 p -54.57 -46.22 99.28 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-O 119.068 -0.492 . . . . 0.0 112.301 172.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.62 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 53.2 Cg_exo -61.03 -14.6 34.12 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.871 1.714 . . . . 0.0 112.94 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tt -91.29 -60.53 1.87 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -78.01 -51.25 10.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.467 -174.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 62.99 95.87 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.332 0.587 . . . . 0.0 111.938 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.425 176.645 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.594 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 7.4 t -166.11 71.27 1.21 Allowed Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.04 -19.45 40.75 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.325 2.016 . . . . 0.0 113.307 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -70.81 -37.14 73.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.814 -0.176 . . . . 0.0 111.216 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.594 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.8 pt20 -65.44 -34.27 77.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.956 0.408 . . . . 0.0 110.507 -178.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.29 -43.96 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.213 174.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.481 ' HZ3' ' HB3' ' A' ' 11' ' ' GLU . 26.6 tptp -59.38 -39.36 83.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.366 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.428 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 53.0 t80 -66.44 -38.84 88.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.747 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.62 -45.25 94.72 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.305 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 70.3 m-85 -74.33 -40.13 62.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.364 -176.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.482 ' O ' HG21 ' A' ' 15' ' ' VAL . 12.8 pt-20 -71.62 -36.34 70.75 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.38 -176.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.405 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -67.47 -23.32 65.49 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.172 177.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.425 ' O ' HG13 ' A' ' 18' ' ' VAL . 51.0 m -57.39 -54.36 47.68 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.88 176.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -72.63 -27.81 62.36 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.957 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 11' ' ' GLU . 72.6 t -65.9 -37.74 80.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.527 176.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.6 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 13.8 m120 -81.32 -77.42 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.962 178.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 31.7 mttm 172.96 85.77 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.339 1.056 . . . . 0.0 109.961 169.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -160.27 129.81 3.29 Favored Pre-proline 0 CA--C 1.537 0.451 0 O-C-N 121.898 -0.501 . . . . 0.0 110.929 177.505 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 25.9 Cg_exo -63.23 151.59 84.08 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.392 2.728 . . . . 0.0 112.59 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -54.15 -45.53 72.04 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -174.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -60.78 -38.52 85.58 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.693 0.282 . . . . 0.0 111.296 -176.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -71.95 -36.36 69.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.319 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 30.8 t -62.12 -39.82 93.8 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.98 -29.39 65.19 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.6 177.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -75.16 -27.84 59.85 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.551 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 43.7 ttp -90.74 -46.1 8.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.865 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.7 m -84.41 -2.2 56.78 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.62 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 2.7 p -58.99 -49.88 90.95 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.62 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.0 Cg_exo -58.22 -16.59 28.62 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 121.839 1.693 . . . . 0.0 112.658 177.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -90.55 -64.38 1.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.896 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -74.86 -26.11 59.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.011 -172.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -114.27 117.26 30.63 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -175.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.5 m . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.736 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.784 0.326 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -157.55 67.45 3.88 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.048 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -50.39 -36.63 48.73 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.955 2.437 . . . . 0.0 113.844 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -40.75 89.15 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -174.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -77.49 -28.46 52.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.335 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.64 89.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.507 176.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.24 -35.21 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.638 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -66.9 -41.66 86.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.031 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.8 t -61.12 -48.69 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.203 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -72.17 -22.25 61.32 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -87.89 -43.49 11.76 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.514 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -81.79 -17.9 45.99 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -175.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.1 p -56.54 -55.32 35.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -70.62 -28.18 64.64 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.498 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.3 t -65.27 -40.5 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.743 0.306 . . . . 0.0 110.659 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -69.04 -74.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.552 ' O ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.93 85.29 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.898 0.749 . . . . 0.0 110.322 169.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -149.69 144.2 17.54 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 121.278 -0.889 . . . . 0.0 109.763 173.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -68.4 154.92 70.88 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.906 2.404 . . . . 0.0 111.484 168.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -51.66 -45.53 63.43 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.871 0.305 . . . . 0.0 111.555 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 5.5 p-10 -59.16 -39.93 84.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.699 0.285 . . . . 0.0 111.027 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -66.57 -37.85 85.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.85 0.357 . . . . 0.0 110.468 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.0 t -59.85 -44.76 93.94 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.94 -40.93 95.16 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.249 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 51.2 mt-30 -62.31 -39.37 92.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.809 0.338 . . . . 0.0 111.108 -174.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.9 ttp -83.19 -45.83 13.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.898 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.9 m -86.26 -15.82 39.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -172.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.67 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 38.9 p -62.97 -47.2 87.07 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.67 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 53.0 Cg_exo -60.46 -15.22 34.66 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 121.946 1.764 . . . . 0.0 112.788 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.56 -59.08 2.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' OE2' ' HB2' ' A' ' 32' ' ' ARG . 9.3 tm-20 -70.53 -44.13 68.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.055 -174.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HB2' ' OE2' ' A' ' 31' ' ' GLU . 6.3 tpp180 -136.15 96.2 3.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.861 0.363 . . . . 0.0 110.956 -171.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.32 -0.706 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.266 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.574 0.226 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.524 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 2.5 t -162.64 53.52 0.41 Allowed Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.959 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' A' ' 2' ' ' SER . 34.3 Cg_exo -56.77 -52.63 6.45 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.658 2.239 . . . . 0.0 113.743 -176.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.473 HE21 ' HA ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -65.36 -43.95 89.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.679 0.276 . . . . 0.0 111.588 -175.369 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.62 -29.22 69.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.797 0.332 . . . . 0.0 110.965 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.13 -32.92 74.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.693 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -61.04 -32.09 71.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.072 177.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 80.3 t80 -67.59 -36.23 80.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.432 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.462 ' SG ' ' HE3' ' A' ' 26' ' ' MET . 17.3 t -62.97 -50.71 69.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.948 0.404 . . . . 0.0 110.05 174.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.507 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 46.1 m-85 -65.26 -26.49 68.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.023 -176.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 15' ' ' VAL . 10.6 pt-20 -78.88 -50.4 11.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.54 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.439 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -73.06 -25.78 61.04 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -174.615 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -59.53 -47.61 84.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.909 0.385 . . . . 0.0 110.336 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -74.55 -28.96 61.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 178.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.7 t -68.19 -40.61 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.682 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.426 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 12.2 m120 -70.51 -76.39 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 20.5 mttm 173.27 85.89 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.829 0.852 . . . . 0.0 110.36 168.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -143.15 143.63 25.45 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.75 153.63 71.14 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.63 2.22 . . . . 0.0 111.171 171.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.07 -43.17 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.749 0.249 . . . . 0.0 110.949 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -57.58 -40.75 79.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.646 0.26 . . . . 0.0 110.915 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -65.7 -41.76 91.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.521 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.2 t -60.53 -43.55 97.04 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.81 -45.75 92.51 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.352 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -64.86 -31.3 72.46 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.36 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.462 ' HE3' ' SG ' ' A' ' 9' ' ' CYS . 37.0 ttp -78.35 -50.3 12.01 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.585 -177.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.7 m -107.16 5.63 27.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -171.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.687 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.8 p -59.58 -47.13 98.4 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.235 170.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.687 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 32.2 Cg_exo -63.94 -15.11 47.24 Favored 'Trans proline' 0 C--N 1.364 1.346 0 C-N-CA 121.971 1.781 . . . . 0.0 112.836 174.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.3 -56.28 4.69 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 2.6 tm-20 -78.19 -71.48 0.42 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.629 -174.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 14.5 mmm180 -159.41 126.28 4.61 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.322 -0.597 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -178.065 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 121.025 0.441 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.551 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 10.2 t -163.78 70.22 1.74 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.924 -178.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.93 -16.76 33.74 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.275 1.984 . . . . 0.0 112.875 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.83 -29.73 70.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.563 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 2' ' ' SER . 3.2 pt20 -68.48 -38.68 81.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.33 0.586 . . . . 0.0 110.242 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.19 -39.63 75.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.184 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -64.13 -36.55 84.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.266 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.46 -40.5 96.83 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.172 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t -63.97 -50.49 68.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.362 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.602 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m-85 -64.32 -24.19 67.56 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.884 0.373 . . . . 0.0 111.445 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 15' ' ' VAL . 9.3 tp10 -73.41 -62.48 1.46 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.12 0.486 . . . . 0.0 110.185 176.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -72.64 -20.12 61.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -171.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 31.9 p -59.17 -60.98 3.0 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.416 -174.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.441 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -70.77 -27.89 64.26 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.901 -0.319 . . . . 0.0 111.131 178.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 11' ' ' GLU . 41.4 t -58.6 -43.06 86.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 O-C-N 123.138 0.274 . . . . 0.0 110.57 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -70.26 -74.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 17' ' ' LYS . 22.6 pttp 176.68 84.47 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.646 0.591 . . . . 0.0 110.786 169.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -146.2 141.13 16.14 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 121.565 -0.71 . . . . 0.0 109.523 173.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.66 155.18 70.42 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.946 2.431 . . . . 0.0 111.362 169.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -52.41 -44.05 65.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 117.952 0.342 . . . . 0.0 111.636 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -59.55 -39.85 85.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.718 0.294 . . . . 0.0 110.711 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.27 -39.27 89.31 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.822 0.344 . . . . 0.0 110.211 176.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.602 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 34.9 t -60.76 -44.9 96.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -59.89 -40.71 89.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -68.98 -27.48 65.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.521 -173.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.2 ttp -90.33 -47.57 7.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.706 0.289 . . . . 0.0 111.39 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.0 m -77.11 -26.85 53.75 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.555 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 47.2 t -64.9 -54.55 34.15 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 120.211 -0.595 . . . . 0.0 111.451 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.667 ' O ' ' HB2' ' A' ' 33' ' ' SER . 55.6 Cg_exo -57.66 -21.35 46.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.116 1.877 . . . . 0.0 112.968 175.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.6 -57.21 5.46 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -68.05 -49.44 61.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.269 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -136.08 116.44 13.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -175.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.667 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 8.2 t . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.557 0.218 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 17.1 t -167.74 79.34 0.89 Allowed Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -174.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -55.89 -27.96 65.6 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.292 1.994 . . . . 0.0 112.686 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -69.63 -42.21 74.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.315 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.0 pt20 -65.19 -31.21 72.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.124 0.487 . . . . 0.0 110.264 -178.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.68 85.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.586 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -65.3 -32.52 74.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.775 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -64.48 -41.16 96.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.182 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 t -60.99 -48.57 81.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.869 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.514 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.2 m-85 -68.63 -29.28 67.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.99 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 15' ' ' VAL . 34.8 tt0 -72.56 -48.8 37.1 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.59 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.547 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.78 -25.24 38.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -171.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.464 ' O ' HG12 ' A' ' 18' ' ' VAL . 31.4 p -56.73 -56.36 22.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.608 0.242 . . . . 0.0 110.989 -175.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.665 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -71.76 -27.05 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.665 ' N ' HD21 ' A' ' 14' ' ' ASN . 49.8 t -66.2 -36.74 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.625 0.25 . . . . 0.0 110.462 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 10.8 m120 -72.45 -75.58 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.587 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER 176.95 84.96 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 O-C-N 123.647 0.592 . . . . 0.0 110.5 168.708 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER -147.09 140.77 15.24 Favored Pre-proline 0 C--O 1.235 0.298 0 O-C-N 121.076 -1.015 . . . . 0.0 109.662 173.603 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.76 153.1 79.6 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.951 2.434 . . . . 0.0 111.743 172.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -54.67 -45.63 73.9 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.587 0.218 . . . . 0.0 111.587 -175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.92 -36.13 76.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.179 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.51 -40.35 73.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.783 0.325 . . . . 0.0 110.296 175.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 28.9 t -61.08 -43.25 99.17 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -60.2 -37.83 81.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.27 177.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -72.17 -28.48 63.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.1 ttp -90.37 -47.75 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.8 m -83.11 -20.57 34.59 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -172.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.495 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 27.8 t -62.22 -52.93 63.18 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 121.828 -0.545 . . . . 0.0 111.982 178.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 78.2 Cg_exo -56.02 -21.57 34.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 122.204 1.936 . . . . 0.0 113.101 175.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -75.01 -50.13 17.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 177.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -79.99 -65.71 0.97 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.694 -173.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 58.46 84.89 0.1 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.538 0.524 . . . . 0.0 111.829 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.805 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.227 0.537 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -156.48 75.22 4.65 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.755 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.9 -13.73 28.69 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.336 2.024 . . . . 0.0 112.495 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.83 -47.86 9.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.062 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -68.29 -33.39 74.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.329 -178.679 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 5' ' ' GLN . . . -67.36 -37.14 82.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.227 175.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -66.18 -29.9 70.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.835 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.475 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 74.6 t80 -66.71 -42.54 86.22 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.189 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.479 ' SG ' ' HE3' ' A' ' 26' ' ' MET . 5.3 t -53.96 -53.33 54.37 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.033 0.444 . . . . 0.0 110.372 175.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.455 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 67.8 m-85 -65.33 -34.51 78.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.323 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' O ' HG21 ' A' ' 15' ' ' VAL . 8.7 tp10 -59.59 -50.6 73.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.284 177.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 24.3 mm-40 -61.07 -27.34 68.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.604 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' HB3' HG23 ' A' ' 18' ' ' VAL . 59.4 m -61.84 -52.04 65.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.127 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -75.63 -28.0 58.64 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.864 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 11' ' ' GLU . 52.9 t -61.71 -43.02 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.686 175.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -86.0 -78.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.613 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.5 tptt 173.38 86.88 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.076 0.55 . . . . 0.0 109.807 174.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -154.66 131.92 6.2 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 121.627 -0.671 . . . . 0.0 110.046 175.051 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.0 150.8 84.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.058 2.506 . . . . 0.0 111.879 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -57.59 -41.07 80.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.405 0.145 . . . . 0.0 111.071 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -58.9 -38.32 78.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.769 0.319 . . . . 0.0 111.363 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -75.16 -41.26 58.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.521 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 10.2 t -62.64 -36.42 82.76 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.165 0.507 . . . . 0.0 109.861 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.4 -32.92 71.78 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.273 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -76.3 -18.25 59.05 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.776 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.479 ' HE3' ' SG ' ' A' ' 9' ' ' CYS . 48.4 ttp -90.18 -44.95 9.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.829 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.3 m -106.99 6.29 28.96 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -174.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.624 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 8.0 p -59.88 -43.63 95.18 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.803 168.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.624 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.8 Cg_exo -60.93 -11.13 16.82 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 121.893 1.729 . . . . 0.0 112.498 173.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt -90.31 -70.34 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.97 -72.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.47 -175.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -157.49 149.08 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.244 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.038 -179.59 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.582 0.23 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.403 ' OG ' ' HB2' ' A' ' 5' ' ' GLN . 8.1 t -158.15 70.41 3.97 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -174.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.25 -54.72 4.52 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.912 2.408 . . . . 0.0 113.951 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.66 -43.62 98.35 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.627 0.251 . . . . 0.0 111.56 -175.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.403 ' HB2' ' OG ' ' A' ' 2' ' ' SER . 14.1 mm100 -69.8 -36.99 76.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.044 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.34 80.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.711 0.291 . . . . 0.0 110.475 175.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -63.73 -35.85 81.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.863 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.7 -40.25 94.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.346 176.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.8 t -64.41 -50.22 68.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.92 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.51 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 49.9 m-85 -65.46 -25.72 67.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.702 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' O ' HG22 ' A' ' 15' ' ' VAL . 34.2 tt0 -80.33 -51.61 8.67 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.626 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -78.67 -19.83 51.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.431 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.9 p -56.73 -55.86 28.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.679 0.276 . . . . 0.0 110.596 -178.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -74.42 -31.23 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.64 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 11' ' ' GLU . 73.4 t -62.92 -43.88 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.484 0.183 . . . . 0.0 110.525 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.512 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 92.8 m-20 -66.22 -74.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 82.2 tttt 175.94 85.1 0.0 OUTLIER 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.516 0.51 . . . . 0.0 110.744 168.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.3 m -147.19 143.34 18.04 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 171.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.91 155.11 72.22 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.886 2.391 . . . . 0.0 111.233 169.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -52.54 -43.75 65.37 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.147 0.43 . . . . 0.0 111.63 -177.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -57.67 -36.47 71.95 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.737 0.303 . . . . 0.0 110.907 -178.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -71.71 -35.69 70.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.835 0.35 . . . . 0.0 110.713 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.5 t -65.74 -42.71 90.66 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -65.33 -27.34 68.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.467 0.651 . . . . 0.0 110.604 175.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -74.23 -39.63 62.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.346 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 38.2 ttp -91.61 -53.02 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 61.5 m -79.92 -31.09 40.12 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -169.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.425 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 21.4 m -63.59 -46.8 83.46 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -176.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 84.6 Cg_exo -53.95 -31.24 62.47 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 122.016 1.811 . . . . 0.0 112.814 173.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.446 ' O ' HD23 ' A' ' 30' ' ' LEU . 3.7 tt -64.89 -50.39 66.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.577 0.703 . . . . 0.0 109.105 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' OE2' ' HG2' ' A' ' 32' ' ' ARG . 4.4 tm-20 -72.63 -46.9 51.76 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.838 -173.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HG2' ' OE2' ' A' ' 31' ' ' GLU . 12.2 mmm180 -136.07 142.4 44.34 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.392 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.179 0.514 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.435 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 51.6 m -147.61 58.04 3.76 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.577 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 2' ' ' SER . 32.6 Cg_exo -58.81 -66.74 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.056 2.504 . . . . 0.0 114.023 -169.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.84 -37.62 85.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.753 0.311 . . . . 0.0 111.248 -175.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -64.35 -41.89 96.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.854 0.359 . . . . 0.0 110.538 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.73 97.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.13 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 3' ' ' PRO . 45.0 mmtm -64.67 -36.87 85.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.53 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -65.01 -41.47 95.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.246 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 t -62.82 -50.99 68.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.223 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.5 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 59.2 m-85 -66.28 -24.82 66.63 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.397 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.528 ' O ' HG21 ' A' ' 15' ' ' VAL . 31.4 tt0 -75.05 -56.77 4.4 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.25 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.52 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -73.17 -22.31 60.52 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -170.405 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 p -58.84 -52.95 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.287 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -79.32 -28.16 42.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.131 -0.227 . . . . 0.0 111.358 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 11' ' ' GLU . 76.7 t -64.15 -34.71 70.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 120.702 0.287 . . . . 0.0 110.643 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 12.9 m120 -76.63 -74.84 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.86 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 41.3 tptt 175.2 86.28 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.493 0.496 . . . . 0.0 110.098 170.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 m -147.27 144.83 20.2 Favored Pre-proline 0 C--O 1.235 0.339 0 CA-C-N 118.346 0.521 . . . . 0.0 109.784 173.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.46 155.12 71.67 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.876 2.384 . . . . 0.0 111.351 169.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -53.52 -43.53 68.4 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 117.795 0.27 . . . . 0.0 111.228 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -56.89 -38.09 72.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.246 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -68.58 -39.28 81.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.297 . . . . 0.0 110.654 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.6 t -63.69 -41.3 98.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -61.01 -32.2 71.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.96 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -72.35 -34.13 67.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.504 -175.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 56.8 mtm -91.55 -52.39 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.63 -0.428 . . . . 0.0 112.123 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.6 m -78.85 -31.5 45.69 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -168.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.517 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 23.0 m -67.14 -50.31 41.35 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.305 -0.558 . . . . 0.0 112.325 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 72.9 Cg_exo -56.99 -28.31 77.68 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 121.768 1.645 . . . . 0.0 112.523 173.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.79 -60.47 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.39 -54.02 50.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.858 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -156.93 117.14 3.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.658 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.452 ' HB2' ' HA ' ' A' ' 29' ' ' PRO . 3.5 t . . . . . 0 C--N 1.323 -0.581 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.66 0.267 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.425 ' OG ' ' HB2' ' A' ' 5' ' ' GLN . 6.8 t -155.97 61.11 2.62 Favored Pre-proline 0 C--N 1.327 -0.394 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.533 -178.521 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.83 -43.99 47.92 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.01 2.473 . . . . 0.0 114.062 -177.065 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -70.4 -47.5 60.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.819 0.342 . . . . 0.0 111.182 -175.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.425 ' HB2' ' OG ' ' A' ' 2' ' ' SER . 27.6 mt-30 -70.17 -34.94 73.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.885 -179.302 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.98 99.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.173 175.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -64.12 -37.14 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.014 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -66.8 -39.13 87.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.022 176.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.4 t -64.36 -54.19 36.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.425 -179.098 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.464 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.7 m-85 -65.69 -30.15 70.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 -179.142 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -69.25 -60.95 2.01 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.147 0.498 . . . . 0.0 110.169 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.45 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -76.89 -20.19 56.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 -171.6 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.3 p -54.81 -58.9 5.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 118.07 0.396 . . . . 0.0 111.137 -175.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -28.06 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.393 179.245 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.56 -44.27 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.5 m120 -63.26 -73.22 0.12 Allowed 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.256 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.2 tttt 175.25 85.4 0.0 OUTLIER 'General case' 0 C--O 1.231 0.128 0 O-C-N 123.672 0.607 . . . . 0.0 110.233 165.508 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -146.57 142.53 17.45 Favored Pre-proline 0 C--O 1.236 0.376 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.58 154.87 72.82 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.798 2.332 . . . . 0.0 111.308 169.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -54.44 -43.08 71.3 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.271 0.487 . . . . 0.0 111.707 -174.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.524 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 7.3 p-10 -59.58 -39.05 82.88 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.671 0.272 . . . . 0.0 110.689 -178.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -65.98 -38.39 88.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.926 0.393 . . . . 0.0 110.334 175.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 23.9 t -63.23 -42.11 99.19 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.723 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.4 -28.21 69.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.509 177.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 78.1 mt-30 -69.6 -40.82 76.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.907 0.384 . . . . 0.0 110.345 -178.481 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.9 ttp -90.74 -51.23 5.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.197 -175.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.6 m -77.6 -30.1 52.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -169.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.435 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 66.6 m -63.28 -48.7 82.3 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.435 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 72.3 Cg_exo -55.18 -36.27 92.84 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.923 1.749 . . . . 0.0 112.687 172.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 30' ' ' LEU . 4.0 tt -63.4 -45.48 90.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.602 0.715 . . . . 0.0 109.43 176.745 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -76.6 -38.05 55.46 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.993 -173.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.484 ' HA ' ' HE ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -149.4 124.55 10.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.662 0.267 . . . . 0.0 111.16 -177.693 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.862 173.993 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -164.72 72.99 1.54 Allowed Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -52.72 -28.22 36.99 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.913 2.409 . . . . 0.0 113.286 -179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -71.88 -44.97 62.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.062 -178.669 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -67.71 -31.71 71.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.145 0.498 . . . . 0.0 110.164 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.99 82.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.246 175.031 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -64.64 -35.58 81.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.959 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -62.66 -41.52 99.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.018 0.437 . . . . 0.0 110.141 176.149 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 t -62.59 -50.47 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.129 179.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -68.27 -32.09 72.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.505 -179.725 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' O ' HG21 ' A' ' 15' ' ' VAL . 34.3 tt0 -68.96 -52.84 24.79 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.277 178.111 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -21.96 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -172.067 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.464 ' O ' HG11 ' A' ' 18' ' ' VAL . 26.1 p -58.17 -56.76 17.89 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.761 -174.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.624 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -75.17 -27.21 59.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.21 -0.307 . . . . 0.0 111.784 178.542 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.624 ' N ' HD21 ' A' ' 14' ' ' ASN . 52.5 t -61.39 -41.52 90.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 177.238 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.452 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 80.3 m-20 -73.28 -75.56 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.984 178.589 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.7 tttt 174.61 85.69 0.0 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.554 0.534 . . . . 0.0 110.014 174.397 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 HG11 ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER -150.35 143.22 16.3 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-N 118.367 0.531 . . . . 0.0 109.758 174.501 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.31 155.15 70.31 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 123.06 2.507 . . . . 0.0 111.788 170.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -51.48 -43.85 62.28 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 117.61 0.186 . . . . 0.0 111.428 -178.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -58.87 -39.81 82.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.826 -0.17 . . . . 0.0 111.222 -178.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.521 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 8.4 tt0 -70.52 -36.86 73.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.689 0.28 . . . . 0.0 110.512 176.698 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 t -61.61 -45.1 95.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.439 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.12 -40.19 95.66 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.735 178.012 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 11.2 pt20 -69.01 -28.08 66.27 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.93 0.395 . . . . 0.0 110.749 -173.615 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.4 ttp -91.1 -50.3 5.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.8 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.94 -26.55 31.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -171.142 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.453 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 25.2 t -63.35 -49.02 81.15 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.902 -179.015 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 83.1 Cg_exo -52.87 -27.68 35.93 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 121.991 1.794 . . . . 0.0 112.904 175.064 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -75.65 -62.56 1.54 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 176.467 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -59.6 -38.97 82.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.27 -174.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.607 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.1 mmp_? -104.39 104.24 14.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.826 0.346 . . . . 0.0 110.389 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.131 178.421 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.561 0.22 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.51 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 10.6 t -163.75 70.9 1.78 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.551 0.215 . . . . 0.0 110.733 -178.634 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.56 -16.66 56.39 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.919 1.746 . . . . 0.0 112.374 177.315 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.543 HE21 ' HA ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -71.98 -38.23 69.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.052 -176.831 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 2' ' ' SER . 3.2 pt20 -65.33 -30.06 70.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.041 0.448 . . . . 0.0 110.542 -179.744 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.97 87.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.183 175.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -64.09 -37.69 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.758 177.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.61 -43.12 99.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.294 177.279 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.82 -50.06 75.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.932 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.731 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.2 m-85 -68.07 -38.76 82.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.933 -178.842 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 15' ' ' VAL . 29.5 tt0 -69.31 -39.46 78.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.848 -175.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -19.57 60.25 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.289 -0.257 . . . . 0.0 111.347 -178.837 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.518 ' HB3' HG23 ' A' ' 18' ' ' VAL . 34.8 m -54.35 -53.79 49.18 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.186 0.304 . . . . 0.0 111.699 179.339 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -78.98 -27.77 43.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.679 0.276 . . . . 0.0 110.877 -178.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.4 t -62.61 -36.36 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.197 175.735 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.59 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 12.1 m120 -81.33 -79.13 0.17 Allowed 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 119.866 -0.733 . . . . 0.0 109.533 176.284 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 67.9 tttt 170.87 85.86 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.653 0.595 . . . . 0.0 109.892 168.649 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -148.8 147.22 23.79 Favored Pre-proline 0 N--CA 1.471 0.59 0 CA-C-N 119.078 0.854 . . . . 0.0 109.976 176.161 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.454 ' O ' HG22 ' A' ' 18' ' ' VAL . 24.0 Cg_exo -64.38 144.19 84.96 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.896 2.398 . . . . 0.0 110.986 171.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -59.71 -37.61 79.34 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.46 -175.225 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.53 -37.09 85.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.252 . . . . 0.0 110.897 178.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 25' ' ' GLN . 45.4 tt0 -66.78 -34.77 78.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.38 . . . . 0.0 110.025 173.376 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.731 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 18.6 t -63.92 -42.38 97.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.316 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -57.9 -36.06 71.9 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 41.1 tt0 -63.63 -43.86 95.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.008 0.432 . . . . 0.0 110.739 -178.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 44.1 ttp -84.69 -42.96 14.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.305 -174.193 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 60.2 m -84.26 -13.35 52.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -173.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.679 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.4 p -62.47 -49.98 81.0 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -178.273 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.679 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 54.7 Cg_exo -56.07 -30.98 81.05 Favored 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 121.892 1.728 . . . . 0.0 112.652 178.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.37 -60.14 3.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.158 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -62.56 -44.65 95.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.779 -174.448 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -132.49 122.5 24.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.287 -176.426 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -157.63 66.0 3.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.013 177.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -51.71 -40.42 65.11 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.0 2.467 . . . . 0.0 113.829 -176.267 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.496 HE21 ' HA ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -65.79 -40.25 91.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.618 0.247 . . . . 0.0 111.034 -176.487 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.35 -39.68 92.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.109 0.48 . . . . 0.0 110.418 178.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.43 98.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.588 177.885 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.7 -36.78 85.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.091 -179.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -65.88 -41.93 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.308 177.086 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.5 t -60.02 -50.01 75.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.266 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -65.32 -39.28 92.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.551 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -63.8 -44.6 92.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 0.0 110.795 -178.347 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.508 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -72.48 -19.01 61.62 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.345 -176.637 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.1 m -55.67 -57.09 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.583 -178.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.01 -37.41 79.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.565 178.557 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.491 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.6 m120 -87.66 -77.55 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.594 -179.849 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 54.9 tttm 173.12 85.71 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.527 0.517 . . . . 0.0 110.214 171.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -162.38 124.85 1.71 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 121.615 -0.678 . . . . 0.0 111.107 175.423 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.25 148.83 68.07 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.332 2.688 . . . . 0.0 112.877 178.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -53.75 -46.76 70.99 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -64.45 -41.32 96.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.553 0.216 . . . . 0.0 111.044 -175.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.5 -34.96 75.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 109.919 176.102 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 t -59.33 -41.74 89.84 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.92 174.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -55.39 -35.71 65.6 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.3 176.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.546 ' HA ' HE21 ' A' ' 25' ' ' GLN . 0.0 OUTLIER -71.62 -26.24 62.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.957 -175.301 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 49.9 ttp -90.81 -48.57 6.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.28 178.063 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.7 m -78.15 -25.6 47.36 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -173.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.494 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 13.8 t -61.17 -49.07 89.96 Favored Pre-proline 0 CA--C 1.539 0.533 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.604 -179.49 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 33' ' ' SER . 81.0 Cg_exo -52.49 -32.43 52.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.279 1.986 . . . . 0.0 113.232 174.574 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.434 ' O ' HD22 ' A' ' 30' ' ' LEU . 3.4 tt -67.34 -48.47 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 176.248 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -75.68 -70.67 0.42 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.337 -173.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.599 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 1.8 mmp_? -157.0 108.78 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.434 0.294 . . . . 0.0 110.987 -179.845 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.513 ' HB2' ' HA ' ' A' ' 29' ' ' PRO . 64.0 m . . . . . 0 C--N 1.325 -0.461 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 173.39 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -163.31 72.39 1.92 Allowed Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -54.25 -20.97 21.11 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.832 2.355 . . . . 0.0 113.102 178.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.74 -30.43 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.539 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -64.34 -37.2 86.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.236 0.541 . . . . 0.0 110.163 177.295 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.67 95.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.312 177.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -67.45 -35.65 79.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.269 -178.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.564 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 78.3 t80 -65.7 -41.71 92.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.438 . . . . 0.0 110.198 175.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.47 -47.57 85.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.988 177.661 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.564 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 40.4 m-85 -70.94 -20.97 62.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.133 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 5.9 pt-20 -82.99 -45.83 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.656 179.744 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.547 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.03 -25.89 40.02 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -174.666 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.8 p -56.1 -49.92 72.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.639 0.257 . . . . 0.0 111.202 -175.019 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -72.51 -29.33 63.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.556 0.217 . . . . 0.0 111.386 178.308 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 11' ' ' GLU . 71.6 t -68.59 -36.99 77.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.391 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.32 -77.48 0.1 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.46 85.02 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.602 0.564 . . . . 0.0 110.502 171.356 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.35 148.34 23.97 Favored Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 121.179 -0.951 . . . . 0.0 110.166 176.644 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -73.57 153.75 49.55 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.724 2.283 . . . . 0.0 111.412 171.016 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.84 -42.68 68.75 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 117.981 0.355 . . . . 0.0 111.375 -176.071 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -58.59 -41.8 86.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.075 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.43 ' HA ' HE21 ' A' ' 25' ' ' GLN . 50.0 tt0 -67.23 -37.34 83.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.248 176.021 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 22.7 t -61.04 -43.47 98.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.564 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -62.22 -37.09 84.05 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.265 177.045 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.43 HE21 ' HA ' ' A' ' 22' ' ' GLN . 46.7 mt-30 -66.33 -40.75 90.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -176.365 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.8 ttp -81.57 -40.68 22.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.746 -176.451 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.2 m -84.15 -16.99 41.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.071 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.701 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.1 p -63.0 -51.89 67.41 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -177.549 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.701 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -59.64 -20.92 60.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 C-N-CA 121.876 1.717 . . . . 0.0 112.595 178.168 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.427 HD21 ' C ' ' A' ' 30' ' ' LEU . 4.3 tt -73.5 -55.78 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.064 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -67.25 -44.38 79.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.118 -177.338 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -137.92 102.81 4.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.325 -176.363 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.302 178.308 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.588 0.232 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -164.37 74.54 1.62 Allowed Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.072 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -54.46 -30.49 64.33 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.538 2.159 . . . . 0.0 113.26 -179.422 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -72.18 -41.35 67.1 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.209 -0.197 . . . . 0.0 111.355 -175.687 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -70.16 -35.83 74.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.106 0.479 . . . . 0.0 110.193 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.81 83.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.251 177.188 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -64.46 -35.15 80.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.113 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.92 -40.25 91.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.285 176.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.9 t -61.38 -48.82 79.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.343 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -69.85 -23.08 63.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.413 179.484 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' O ' HG22 ' A' ' 15' ' ' VAL . 8.2 tp10 -73.16 -62.91 1.3 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.11 0.481 . . . . 0.0 110.303 179.09 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.479 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -74.28 -18.65 60.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.472 -170.796 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 22.7 p -56.66 -57.37 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.47 0.176 . . . . 0.0 110.83 -175.731 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.417 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 3.3 p-10 -76.29 -28.56 57.06 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 121.106 -0.237 . . . . 0.0 111.194 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 11' ' ' GLU . 77.3 t -61.74 -42.93 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.469 178.866 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.464 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 83.2 m-20 -71.83 -74.4 0.16 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.014 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 177.37 83.91 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 O-C-N 123.639 0.587 . . . . 0.0 111.188 166.738 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.22 143.11 16.24 Favored Pre-proline 0 N--CA 1.464 0.255 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 171.151 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.62 152.77 80.59 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.805 2.336 . . . . 0.0 111.54 172.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -58.84 -38.63 79.14 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -178.086 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -61.76 -31.24 71.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.998 0.428 . . . . 0.0 110.242 178.02 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -75.17 -38.13 60.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.99 175.109 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 61.1 m -55.29 -42.77 74.05 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.389 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -58.97 -40.71 85.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.812 -179.532 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -73.47 -26.3 60.86 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.535 -173.335 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.1 ttp -91.63 -48.88 6.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.81 0.338 . . . . 0.0 111.546 177.638 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.9 m -83.43 -31.94 26.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -170.408 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.489 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 74.8 m -64.07 -51.94 59.28 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.03 -179.072 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.489 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 80.2 Cg_exo -52.63 -43.39 55.64 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.0 1.8 . . . . 0.0 112.106 172.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -51.46 -55.68 17.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.455 175.624 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.34 -38.1 81.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.664 -173.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -125.89 80.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.052 0.453 . . . . 0.0 111.306 -175.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.816 173.304 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.757 0.313 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -152.67 74.2 7.2 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.996 -178.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.07 -36.27 54.02 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.88 2.387 . . . . 0.0 113.727 -176.663 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -66.38 -37.27 84.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 0.0 110.981 -177.558 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.457 HE21 ' HA ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -68.98 -44.53 72.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.403 179.869 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' ' HD1' ' A' ' 10' ' ' TYR . . . -63.53 -43.82 96.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.446 177.769 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -66.91 -33.33 75.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.12 -177.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -69.15 -42.54 75.8 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.274 177.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.5 t -61.64 -47.19 86.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.253 178.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.591 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.8 m-85 -71.42 -18.91 62.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.628 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 15' ' ' VAL . 27.9 tp10 -74.54 -64.07 1.11 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.334 0.587 . . . . 0.0 110.331 177.793 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.525 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -70.97 -18.46 62.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.226 -169.362 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' O ' HG11 ' A' ' 18' ' ' VAL . 31.6 p -61.58 -57.03 13.68 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.762 -176.693 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.407 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.1 p-10 -73.31 -28.66 62.21 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.452 -0.155 . . . . 0.0 111.352 178.356 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 11' ' ' GLU . 64.7 t -62.31 -36.08 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.482 178.141 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 13.2 m120 -76.92 -76.62 0.16 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.392 176.224 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.594 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.99 86.38 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.669 0.605 . . . . 0.0 110.456 167.073 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.408 HG11 ' O ' ' A' ' 13' ' ' CYS . 1.1 m -142.91 142.32 21.93 Favored Pre-proline 0 C--O 1.237 0.406 0 O-C-N 121.074 -1.016 . . . . 0.0 109.951 174.127 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -62.08 153.27 70.33 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.933 2.422 . . . . 0.0 111.519 171.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -55.72 -43.25 76.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.806 0.276 . . . . 0.0 111.457 -175.76 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.72 -38.66 85.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.5 0.191 . . . . 0.0 110.973 -178.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 45.2 tt0 -68.04 -37.86 81.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 110.082 176.366 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 31.1 t -62.08 -43.08 99.61 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.82 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -62.8 -40.96 98.97 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.394 176.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 5.0 pt20 -69.62 -28.53 66.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.637 0.256 . . . . 0.0 111.012 -172.317 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.461 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 31.5 ttp -86.86 -43.65 12.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.653 0.263 . . . . 0.0 111.327 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.0 m -83.42 -8.4 59.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -176.7 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.708 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 14.6 p -62.19 -49.78 83.01 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.708 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.3 Cg_exo -59.68 -11.49 14.64 Favored 'Trans proline' 0 C--N 1.361 1.209 0 C-N-CA 122.118 1.878 . . . . 0.0 112.801 178.345 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -90.44 -63.49 1.27 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -80.2 -63.71 1.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.165 -171.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.9 113.33 20.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.511 0.672 . . . . 0.0 111.83 -174.599 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.8 m . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.327 176.236 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.439 0.161 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 7.9 t 178.64 75.66 0.14 Allowed Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.009 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.27 -32.27 60.06 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.626 2.217 . . . . 0.0 113.338 -176.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.11 -46.04 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.265 -177.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.2 pt20 -68.17 -31.26 70.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.962 0.411 . . . . 0.0 110.588 -176.601 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -39.96 81.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.128 176.101 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -63.06 -35.59 80.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.014 178.349 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -61.72 -43.98 97.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.523 177.274 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.4 t -61.98 -46.24 90.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.044 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.546 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 46.8 m-85 -68.88 -36.61 78.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.837 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.534 ' O ' HG21 ' A' ' 15' ' ' VAL . 30.3 tt0 -72.57 -39.86 67.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.68 -178.111 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -64.39 -23.3 67.24 Favored 'General case' 0 CA--C 1.521 -0.137 0 O-C-N 122.265 -0.272 . . . . 0.0 110.551 177.341 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.492 ' HB3' HG21 ' A' ' 18' ' ' VAL . 53.4 m -59.55 -49.91 75.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.243 178.348 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.22 -28.6 38.56 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.98 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.534 HG21 ' O ' ' A' ' 11' ' ' GLU . 68.8 t -62.15 -51.12 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.62 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.541 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.4 m120 -75.82 -78.91 0.11 Allowed 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.065 -177.645 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 55.0 tttm 171.55 86.61 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.97 0.508 . . . . 0.0 110.649 167.755 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.492 HG21 ' HB3' ' A' ' 13' ' ' CYS . 1.5 m -145.0 140.53 16.27 Favored Pre-proline 0 C--O 1.236 0.353 0 O-C-N 121.521 -0.737 . . . . 0.0 110.053 174.084 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -61.53 144.52 97.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.953 2.435 . . . . 0.0 111.033 173.49 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -60.91 -37.25 81.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.709 -175.671 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.74 -37.12 85.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.907 0.384 . . . . 0.0 110.318 178.513 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -70.37 -37.71 74.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.201 174.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.9 t -63.44 -38.9 92.93 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.088 0.47 . . . . 0.0 110.015 178.483 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -62.28 -24.43 67.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.858 176.146 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -79.9 -31.7 40.25 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.74 -179.662 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 45.0 ttp -90.29 -49.12 6.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.039 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.1 m -87.37 -11.75 48.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -170.753 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.644 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 77.2 p -65.16 -45.56 72.2 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.769 -178.29 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.644 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.6 Cg_exo -60.05 -15.73 35.29 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 121.882 1.722 . . . . 0.0 112.966 177.551 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.444 ' O ' HD23 ' A' ' 30' ' ' LEU . 4.1 tt -74.49 -49.77 20.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.921 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -80.06 -70.33 0.53 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.922 -175.175 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -151.1 128.16 11.11 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.285 176.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.322 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.976 0.417 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.554 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 9.1 t -155.14 68.9 5.48 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.945 -177.613 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.39 -20.2 39.01 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.603 2.202 . . . . 0.0 113.486 -179.174 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.542 HE21 ' HA ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -73.33 -37.01 66.28 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.354 -0.216 . . . . 0.0 111.235 178.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 2' ' ' SER . 1.8 pt20 -63.52 -26.83 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.15 0.5 . . . . 0.0 110.167 -179.685 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.36 91.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.41 176.322 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -64.98 -32.21 73.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.059 178.721 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -69.25 -41.56 76.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.119 177.463 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -62.37 -49.74 74.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.253 178.391 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.507 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.0 m-85 -68.52 -18.93 64.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.738 -178.808 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.513 ' O ' HG22 ' A' ' 15' ' ' VAL . 7.2 tp10 -83.32 -62.22 1.64 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.296 176.435 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -66.06 -20.22 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.343 -172.692 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 26.0 p -57.46 -53.39 58.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.842 0.354 . . . . 0.0 110.233 178.795 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.413 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 15.1 m120 -74.05 -31.62 62.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.912 178.807 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 11' ' ' GLU . 87.1 t -63.69 -38.16 81.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.164 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.475 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.2 m120 -72.88 -76.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.883 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 87.8 tttt 174.09 85.94 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.114 0 O-C-N 123.398 0.436 . . . . 0.0 110.092 171.465 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 m -145.93 142.29 17.65 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 121.718 -0.614 . . . . 0.0 110.216 175.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -67.13 155.86 68.85 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.029 2.486 . . . . 0.0 111.633 169.277 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -49.46 -45.99 47.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.968 0.349 . . . . 0.0 111.659 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.14 -36.18 72.6 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.885 0.374 . . . . 0.0 110.71 -178.256 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -71.22 -41.6 69.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.263 176.731 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.9 t -61.0 -45.7 93.76 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.564 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -62.32 -43.97 97.58 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.454 177.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -69.71 -23.26 63.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.951 -170.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.5 ttp -90.33 -46.92 8.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.521 177.065 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 37.8 m -83.57 -21.79 32.54 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -172.72 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.633 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 63.2 p -62.64 -43.85 84.95 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.541 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.633 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 62.0 Cg_exo -57.96 -23.94 62.58 Favored 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 121.869 1.713 . . . . 0.0 112.678 174.151 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.413 ' C ' HD22 ' A' ' 30' ' ' LEU . 3.5 tt -81.31 -59.98 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.77 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -63.48 -45.05 92.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.856 -174.498 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -118.48 80.34 1.52 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.251 0.548 . . . . 0.0 109.754 -177.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.678 -178.699 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.596 0.236 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.5 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 68.2 m -151.53 55.63 1.69 Allowed Pre-proline 0 CA--C 1.538 0.496 0 C-N-CA 121.189 -0.204 . . . . 0.0 111.347 179.466 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.5 ' HD3' ' N ' ' A' ' 2' ' ' SER . 37.8 Cg_exo -57.01 -51.79 8.11 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.787 2.325 . . . . 0.0 114.353 -174.596 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -62.65 -48.07 80.95 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -172.675 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -59.86 -40.21 87.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.992 0.425 . . . . 0.0 110.729 178.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.445 ' O ' ' HD2' ' A' ' 10' ' ' TYR . . . -66.38 -41.5 89.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.573 178.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -63.46 -34.47 77.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.213 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -65.68 -43.08 90.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.148 177.241 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.81 -52.45 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.157 176.07 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.577 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 40.1 m-85 -61.15 -27.05 68.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.516 -179.203 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -68.27 -58.86 3.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.098 0.475 . . . . 0.0 110.513 175.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -80.76 -23.49 39.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -171.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.475 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 30.4 p -58.1 -54.84 42.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.012 0.369 . . . . 0.0 111.444 -174.229 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.07 -28.24 67.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.785 0.326 . . . . 0.0 111.006 178.133 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.73 -41.64 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.758 179.029 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 12.3 m120 -70.89 -75.01 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.17 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.558 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 177.61 84.28 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.494 171.363 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -151.38 140.62 13.82 Favored Pre-proline 0 C--O 1.235 0.327 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 171.661 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HD2' ' OE1' ' A' ' 22' ' ' GLN . 23.5 Cg_exo -64.34 150.89 87.44 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.759 2.306 . . . . 0.0 111.485 171.073 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -55.34 -43.76 75.27 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 121.278 -0.169 . . . . 0.0 111.347 -177.462 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.06 -31.41 72.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.756 0.312 . . . . 0.0 110.773 -178.363 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.449 ' OE1' ' HD2' ' A' ' 19' ' ' PRO . 45.2 tt0 -73.0 -38.89 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.139 175.421 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.577 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.6 t -63.29 -41.18 98.95 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.608 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.433 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 11.0 t80 -63.29 -36.16 82.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.085 175.777 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -68.69 -35.72 77.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.816 -173.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.4 ttp -89.84 -50.29 6.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.265 -175.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.03 4.49 39.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -168.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.526 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 22.8 t -68.1 -49.3 35.58 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 119.516 -0.873 . . . . 0.0 110.438 168.254 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 51.7 Cg_exo -59.35 -22.41 65.4 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.15 1.9 . . . . 0.0 112.929 174.731 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.437 ' C ' HD23 ' A' ' 30' ' ' LEU . 5.6 tt -60.55 -46.88 88.56 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.305 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.71 -71.61 0.47 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.322 -179.37 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -156.05 126.31 6.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.288 -178.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 172.297 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.745 0.307 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.414 ' OG ' ' HB2' ' A' ' 5' ' ' GLN . 18.0 t -172.56 73.38 0.44 Allowed Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -178.471 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.11 -41.64 40.63 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.056 2.504 . . . . 0.0 113.945 -175.298 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -73.63 -45.98 49.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.424 -175.61 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.414 ' HB2' ' OG ' ' A' ' 2' ' ' SER . 11.7 mm100 -68.66 -34.0 74.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.862 0.363 . . . . 0.0 110.708 178.879 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.1 96.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.461 176.078 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -63.93 -35.64 81.33 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.422 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 79.0 t80 -64.48 -43.07 95.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.181 176.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t -56.21 -49.77 73.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.748 179.056 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.557 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 71.3 m-85 -70.69 -35.51 72.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.549 -179.27 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' O ' HG21 ' A' ' 15' ' ' VAL . 46.0 tt0 -64.86 -42.35 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.08 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 32.4 mm-40 -70.87 -20.09 62.56 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.971 -177.355 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.2 m -60.2 -56.34 22.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.958 177.536 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -71.66 -28.02 63.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.771 -178.252 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 11' ' ' GLU . 48.0 t -58.66 -40.03 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.725 176.399 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 42.0 m-80 -86.38 -76.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.401 177.751 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.8 tttt 175.28 85.86 0.0 OUTLIER 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.533 0.52 . . . . 0.0 110.155 171.226 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -161.06 127.34 2.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.196 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.28 154.06 60.93 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.307 2.671 . . . . 0.0 112.845 176.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -54.94 -46.61 75.0 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.567 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.4 -40.09 93.1 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.916 0.389 . . . . 0.0 110.666 -177.8 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -70.12 -33.49 71.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.326 176.628 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.557 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.7 t -64.81 -38.73 91.97 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.652 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -59.33 -34.43 72.33 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.247 174.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.88 -41.4 95.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.863 0.363 . . . . 0.0 110.256 -178.313 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.422 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 44.5 ttp -88.55 -38.22 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.133 -177.834 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.5 t -89.59 -1.07 57.92 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -174.014 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.558 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.2 p -56.13 -41.32 90.43 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.007 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.558 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 78.7 Cg_exo -55.0 -21.91 28.73 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 122.239 1.959 . . . . 0.0 113.468 174.033 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tt -90.5 -70.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.409 . . . . 0.0 109.977 -178.754 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -77.36 -71.97 0.38 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.002 -173.534 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -153.66 139.99 18.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.883 -176.055 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.32 -0.714 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.855 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 t -173.36 84.41 0.39 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.131 -177.426 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.74 -28.05 64.7 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.11 1.873 . . . . 0.0 112.519 178.653 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -65.89 -44.0 86.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.939 -177.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -67.32 -36.93 82.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.731 -178.576 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.67 99.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.447 177.107 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -68.51 -26.58 65.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.288 0.566 . . . . 0.0 110.114 -179.216 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.415 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 85.1 t80 -73.82 -43.5 58.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.513 175.675 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.44 -47.48 85.91 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.507 -179.335 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -70.08 -21.92 63.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.807 -178.885 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.5 tt0 -77.83 -58.58 3.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.156 0.503 . . . . 0.0 110.014 176.204 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.428 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 14.6 mm100 -70.52 -18.35 62.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.285 -171.745 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.413 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.0 p -60.82 -54.42 45.37 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.498 -177.708 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -75.45 -29.07 59.55 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.26 178.344 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 11' ' ' GLU . 69.8 t -66.65 -34.86 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.318 . . . . 0.0 110.403 178.687 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.498 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 25.1 t-20 -75.02 -74.99 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.007 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 40.0 mttt 174.18 84.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.843 0.857 . . . . 0.0 110.1 170.45 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER -149.87 144.15 17.4 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 118.543 0.611 . . . . 0.0 109.677 174.707 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -66.66 154.39 74.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.703 2.269 . . . . 0.0 111.31 170.508 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -54.97 -42.8 72.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 118.165 0.439 . . . . 0.0 111.404 -176.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.494 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.4 p-10 -57.41 -44.4 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.965 179.547 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.53 -36.3 83.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.756 0.312 . . . . 0.0 110.583 176.255 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.44 -43.08 93.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -64.68 -37.79 88.79 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 175.464 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 27.0 mt-30 -63.88 -41.61 97.71 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.049 0.452 . . . . 0.0 110.281 -176.116 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 49.8 ttp -83.14 -43.53 16.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.943 -174.743 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.9 m -84.5 -16.07 43.72 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -173.49 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.639 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.9 p -61.49 -46.97 94.41 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -177.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.639 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 59.0 Cg_exo -57.27 -18.58 30.92 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 122.065 1.843 . . . . 0.0 113.385 178.645 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -80.21 -60.48 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.619 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -76.15 -60.96 2.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.412 -175.435 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.11 86.91 2.37 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.341 -171.437 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.321 -0.649 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.713 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.673 0.273 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.631 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 6.9 t -161.33 69.14 2.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.16 -25.39 54.99 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.287 1.991 . . . . 0.0 113.53 -177.502 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -69.82 -36.36 75.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.478 -177.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.631 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.7 pt20 -65.32 -34.16 77.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.021 0.439 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.29 68.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.383 177.131 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 26.7 tptp -64.99 -36.36 84.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.088 -179.463 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -63.18 -41.22 99.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.27 176.602 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.92 -49.53 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.605 -178.803 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -67.98 -28.29 67.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.661 0.267 . . . . 0.0 111.368 -179.67 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.472 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -74.96 -56.41 4.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.898 0.38 . . . . 0.0 110.48 178.445 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.418 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -72.62 -19.0 61.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -173.086 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 19.5 p -57.76 -54.3 48.41 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.466 -176.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.419 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.3 p-10 -75.68 -29.23 58.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 178.131 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 11' ' ' GLU . 72.0 t -64.06 -41.42 92.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.637 0.256 . . . . 0.0 110.47 178.757 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 84.4 m-20 -71.06 -74.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.172 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 64.9 tttp 173.11 85.95 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.197 0.599 . . . . 0.0 110.189 167.065 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -147.5 147.1 26.88 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-N 118.711 0.687 . . . . 0.0 109.502 173.456 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.01 153.88 73.46 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.725 2.283 . . . . 0.0 111.258 170.447 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -58.01 -38.87 76.96 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.701 0.228 . . . . 0.0 111.262 -178.313 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.62 -34.57 74.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.352 177.673 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -70.27 -37.89 74.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.108 175.799 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.9 m -56.79 -43.87 81.33 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.868 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.415 ' O ' ' HB2' ' A' ' 28' ' ' SER . 36.1 t80 -64.93 -34.48 78.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -72.48 -34.56 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.919 0.39 . . . . 0.0 110.962 -176.334 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.4 ttp -91.09 -50.18 5.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.067 -178.681 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.1 m -82.26 -34.24 28.84 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -169.685 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.441 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 51.0 m -63.17 -48.58 83.23 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -176.299 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.441 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 84.5 Cg_exo -52.94 -40.78 74.86 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.95 1.767 . . . . 0.0 112.582 172.564 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.98 -59.5 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.61 0.719 . . . . 0.0 109.093 175.207 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -58.24 -57.36 13.22 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.626 -173.052 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.508 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.2 mmp_? -148.46 122.89 9.7 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.83 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.323 -0.562 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.824 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.715 0.293 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -174.15 57.73 0.2 Allowed Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 -177.678 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -58.46 -40.64 72.89 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.35 2.034 . . . . 0.0 113.327 -173.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -65.97 -43.16 88.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.553 -177.467 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.24 -37.5 80.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.444 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.12 97.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 177.218 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -66.72 -34.83 78.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.827 0.346 . . . . 0.0 110.211 -178.541 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -64.43 -40.99 96.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.113 176.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.9 t -61.78 -48.2 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.488 179.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.649 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 66.7 m-85 -71.14 -27.8 63.82 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.769 -179.026 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.7 OUTLIER -70.84 -57.07 4.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.124 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.513 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -77.68 -19.32 55.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -169.866 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' O ' HG12 ' A' ' 18' ' ' VAL . 29.4 p -60.69 -58.51 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.665 -176.919 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.648 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -69.59 -26.87 64.67 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.207 -0.197 . . . . 0.0 111.283 179.238 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.648 ' N ' HD21 ' A' ' 14' ' ' ASN . 57.0 t -63.44 -40.2 88.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 177.561 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 12.3 m120 -69.53 -73.72 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 60.6 tttm 175.44 85.17 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 O-C-N 123.733 0.646 . . . . 0.0 110.136 169.275 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -150.07 140.01 13.65 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 118.468 0.577 . . . . 0.0 109.948 175.073 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.99 154.58 72.37 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.989 2.459 . . . . 0.0 111.697 170.586 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -53.24 -44.19 67.92 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.975 0.352 . . . . 0.0 111.675 -174.693 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -61.09 -35.87 78.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -178.162 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.65 -38.77 73.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.869 0.366 . . . . 0.0 110.283 174.1 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.649 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.0 t -60.51 -46.03 91.65 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.336 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -58.53 -37.04 74.82 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.152 176.421 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -63.99 -41.4 97.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.805 0.335 . . . . 0.0 110.762 -175.487 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.492 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 32.6 ttp -83.02 -43.21 16.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.653 -177.82 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.7 m -81.13 -16.89 51.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.218 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.64 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.4 p -57.97 -49.08 95.64 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.788 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.64 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 80.7 Cg_exo -53.73 -28.76 48.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 122.127 1.885 . . . . 0.0 112.988 177.803 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tt -80.3 -57.42 3.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.507 179.371 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -71.14 -27.56 63.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.977 -173.14 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -139.71 116.01 10.53 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -177.437 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 C--N 1.322 -0.628 0 C-N-CA 121.174 -0.211 . . . . 0.0 110.53 -176.715 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.974 0.416 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.52 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 8.2 t -173.26 67.51 0.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.819 -179.078 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.83 -28.22 47.19 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.482 2.122 . . . . 0.0 112.61 179.399 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -60.55 -38.24 83.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.463 -179.891 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.4 pt20 -65.38 -34.54 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.948 0.404 . . . . 0.0 110.502 -177.344 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.03 -41.28 64.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.432 176.719 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.68 -36.8 84.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.092 179.347 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -65.88 -41.87 91.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.593 178.02 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -61.25 -45.13 95.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.376 -178.306 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.401 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.1 m-85 -78.02 -25.18 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.273 -177.757 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 15' ' ' VAL . 42.2 tt0 -75.48 -50.86 14.46 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.083 179.667 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.473 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.93 -20.95 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -170.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 p -55.92 -57.07 13.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.646 0.26 . . . . 0.0 111.234 -175.615 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -70.12 -28.73 65.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.191 178.917 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 11' ' ' GLU . 79.3 t -64.48 -39.17 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.526 179.246 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 11.1 m120 -69.74 -75.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.581 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 177.45 84.23 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.495 169.575 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -149.54 141.12 14.73 Favored Pre-proline 0 C--O 1.235 0.317 0 O-C-N 121.438 -0.789 . . . . 0.0 109.688 175.431 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.98 154.39 73.57 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.765 2.31 . . . . 0.0 111.213 169.239 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -56.17 -43.95 78.85 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 118.37 0.532 . . . . 0.0 111.653 -175.513 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -60.2 -34.43 73.62 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.754 0.311 . . . . 0.0 110.78 -179.657 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -70.28 -38.17 74.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.385 174.837 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 49.3 t -60.72 -45.81 92.81 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 177.132 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -61.02 -37.49 82.75 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.067 176.412 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -64.02 -35.24 80.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 -175.18 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.455 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 24.3 ttp -85.75 -45.35 11.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.785 -179.119 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.9 m -85.03 -6.89 59.31 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -173.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.581 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.1 p -60.65 -47.76 95.14 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.192 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.581 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 85.7 Cg_exo -53.48 -28.5 45.03 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.866 1.711 . . . . 0.0 112.257 174.853 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -81.14 -66.55 0.87 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.614 -178.851 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.47 -72.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.001 -174.578 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -158.5 127.47 5.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.884 0.373 . . . . 0.0 110.554 -178.596 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.469 ' HA ' ' HB2' ' A' ' 28' ' ' SER . 1.8 p . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.281 179.002 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -165.39 61.75 0.79 Allowed Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -178.436 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -50.49 -48.73 19.05 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.258 2.639 . . . . 0.0 114.331 -173.52 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.85 -46.63 71.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.736 0.303 . . . . 0.0 111.328 -175.812 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -67.71 -32.99 74.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.893 -179.244 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.17 96.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.05 174.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.16 -37.05 85.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.316 179.906 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.403 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 81.3 t80 -65.21 -42.57 93.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 176.406 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.2 t -61.78 -51.32 68.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 -178.426 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.543 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 63.4 m-85 -66.72 -25.06 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.438 -178.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -75.92 -50.42 15.04 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.959 178.049 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 28.4 mm-40 -80.85 -23.41 39.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.344 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 29.8 p -55.49 -59.61 4.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.379 0.133 . . . . 0.0 111.178 -174.772 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.406 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -69.95 -28.14 65.32 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.448 179.013 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.5 -45.08 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.708 0.29 . . . . 0.0 110.477 177.615 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.476 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 85.3 m-20 -67.03 -73.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.837 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.5 tttt 175.76 85.44 0.0 OUTLIER 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.407 0.442 . . . . 0.0 110.457 168.3 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -148.93 141.16 14.93 Favored Pre-proline 0 C--O 1.235 0.305 0 O-C-N 121.843 -0.536 . . . . 0.0 109.571 173.588 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.34 154.85 72.64 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.808 2.338 . . . . 0.0 111.414 169.569 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -52.0 -43.96 63.9 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.007 0.367 . . . . 0.0 111.712 -176.146 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.69 -39.55 88.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.935 -179.216 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.02 -38.7 89.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.195 174.757 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 33.7 t -60.3 -44.29 95.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.745 178.128 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -60.67 -37.51 81.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 177.283 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -70.94 -28.79 64.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.725 0.298 . . . . 0.0 111.208 -174.331 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 44.4 ttp -90.46 -44.13 9.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.521 179.233 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.4 m -82.84 -25.64 32.44 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -173.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.491 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 22.3 t -61.51 -49.7 85.97 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.025 -0.512 . . . . 0.0 112.087 -178.566 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 75.1 Cg_exo -54.58 -24.29 35.96 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.138 1.892 . . . . 0.0 113.059 175.93 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -77.63 -58.28 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.701 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -64.94 -66.7 0.51 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.175 -174.663 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 49.4 46.64 23.12 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.421 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.118 -177.24 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.735 0.302 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -148.17 67.33 9.87 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.92 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -53.26 -32.92 63.01 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.983 2.455 . . . . 0.0 113.751 -177.487 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -71.44 -46.39 60.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.719 0.295 . . . . 0.0 111.075 -176.321 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -69.91 -39.09 76.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 -179.01 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.35 90.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.262 176.5 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.3 -31.12 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.81 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -66.95 -42.47 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.26 176.55 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.2 t -60.05 -46.17 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.933 178.391 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.488 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 54.6 m-85 -69.08 -34.34 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.437 179.472 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.7 tp10 -60.91 -52.22 65.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.069 0.462 . . . . 0.0 110.357 177.8 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.464 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -61.34 -25.13 66.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -178.324 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.452 ' CA ' HG12 ' A' ' 18' ' ' VAL . 53.4 m -61.59 -51.23 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.36 177.361 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -75.27 -26.93 59.19 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.778 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 11' ' ' GLU . 69.0 t -65.06 -45.49 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.871 175.739 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.418 ' C ' ' HG3' ' A' ' 17' ' ' LYS . 12.1 m120 -86.56 -77.9 0.3 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.261 -174.866 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HG3' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER 177.45 81.74 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.946 0.403 . . . . 0.0 111.482 176.018 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.452 HG12 ' CA ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -163.66 124.25 1.43 Allowed Pre-proline 0 C--N 1.322 -0.598 0 O-C-N 121.364 -0.835 . . . . 0.0 111.009 175.663 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.28 153.19 54.95 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.499 2.8 . . . . 0.0 112.787 177.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -54.79 -44.18 73.52 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 111.776 0.288 . . . . 0.0 111.776 -176.781 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.79 -44.1 97.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.728 0.299 . . . . 0.0 111.665 -177.596 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -74.4 -27.14 60.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.763 0.316 . . . . 0.0 110.487 177.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.488 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 27.6 t -68.28 -38.79 82.04 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.519 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -55.2 -34.35 63.83 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.923 175.661 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -65.2 -34.89 79.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.946 0.403 . . . . 0.0 110.694 -178.086 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.51 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 35.3 ttp -90.51 -47.53 7.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -177.323 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.3 m -83.57 -14.4 52.21 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.427 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.561 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.2 p -58.15 -44.43 99.25 Favored Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -178.14 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.561 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 92.8 Cg_exo -48.75 -47.63 20.37 Favored 'Trans proline' 0 C--N 1.362 1.248 0 C-N-CA 122.54 2.16 . . . . 0.0 114.088 179.834 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -71.23 -29.71 65.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 0.0 110.29 -178.088 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -79.35 -67.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.494 -177.414 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -154.42 116.79 4.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.662 177.264 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 10.7 t . . . . . 0 C--N 1.323 -0.544 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.762 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.487 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 70.9 m -140.67 58.2 9.5 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.248 -177.434 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.487 ' HD3' ' N ' ' A' ' 2' ' ' SER . 23.9 Cg_exo -62.74 -56.35 0.64 Allowed 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.542 2.162 . . . . 0.0 113.574 -176.385 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.71 -42.98 90.47 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 -174.302 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.23 -35.35 80.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.73 0.3 . . . . 0.0 110.708 -179.011 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.49 98.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.987 175.434 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -64.29 -42.8 96.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.06 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -61.89 -40.82 96.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.489 177.611 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.86 -50.48 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.431 -179.168 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -70.48 -29.89 66.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.546 -179.381 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' O ' HG22 ' A' ' 15' ' ' VAL . 38.4 tt0 -67.47 -52.4 39.71 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.358 177.756 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.521 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.26 -26.91 38.75 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -171.995 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.468 ' O ' HG13 ' A' ' 18' ' ' VAL . 23.9 p -56.47 -50.47 71.65 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.006 0.431 . . . . 0.0 110.435 -177.642 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.41 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.6 t-20 -75.91 -27.58 57.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -178.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 11' ' ' GLU . 54.9 t -69.06 -40.4 80.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.52 0.2 . . . . 0.0 110.761 178.851 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.479 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.0 m120 -70.41 -75.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.686 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 84.1 tttt 175.25 83.71 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.839 170.798 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.47 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -152.7 143.14 15.42 Favored Pre-proline 0 C--O 1.237 0.425 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 173.777 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.438 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.7 Cg_exo -66.58 152.91 79.74 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.891 2.394 . . . . 0.0 111.944 172.824 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 23' ' ' CYS . 69.7 t80 -55.04 -40.83 70.68 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -177.573 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.62 -38.26 84.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.847 0.355 . . . . 0.0 110.677 179.319 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.626 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 35.5 tt0 -74.0 -28.47 61.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.366 176.098 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 20' ' ' PHE . 73.7 m -59.19 -48.67 80.76 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 169.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -57.49 -43.04 83.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.823 -179.237 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 2.4 pt20 -63.82 -30.56 71.63 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.64 0.257 . . . . 0.0 110.94 -174.354 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.8 ttp -90.19 -45.86 8.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.485 -179.665 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -79.93 -18.55 50.21 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.91 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.707 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.6 p -64.26 -49.99 69.96 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-O 118.55 -0.738 . . . . 0.0 112.859 -177.854 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.707 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.4 Cg_exo -62.0 -15.04 40.88 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 122.141 1.894 . . . . 0.0 112.588 176.791 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -81.29 -59.67 2.55 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.462 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 36.2 tt0 -63.72 -51.8 63.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.77 -175.771 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HD2' ' O ' ' A' ' 31' ' ' GLU . 12.6 mmm180 -134.02 -176.64 4.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.624 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.191 177.919 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.469 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 3.4 t -158.89 58.32 1.25 Allowed Pre-proline 0 CA--C 1.537 0.475 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.899 178.052 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 2' ' ' SER . 31.5 Cg_exo -59.37 -39.33 78.0 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.577 2.185 . . . . 0.0 113.497 -177.267 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -70.12 -46.69 64.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -175.84 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -67.25 -31.53 71.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 178.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.95 94.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.044 177.443 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.29 -36.23 83.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.191 0.519 . . . . 0.0 109.713 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -67.42 -41.01 85.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.454 176.221 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.26 -50.02 71.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.543 -179.925 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -65.4 -21.27 66.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.826 0.346 . . . . 0.0 111.465 -179.575 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.468 ' O ' HG21 ' A' ' 15' ' ' VAL . 5.2 tp10 -78.66 -61.23 2.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.002 0.429 . . . . 0.0 110.115 177.489 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.505 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -69.43 -23.68 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.36 -172.947 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 29.2 p -55.76 -54.15 47.93 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.532 -177.745 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.405 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 3.0 t-20 -74.33 -28.95 61.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.909 179.35 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 11' ' ' GLU . 76.0 t -66.65 -38.51 81.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.582 0.23 . . . . 0.0 110.469 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -69.21 -75.07 0.12 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 176.648 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.3 pttt 175.45 84.15 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.872 0.732 . . . . 0.0 110.606 166.074 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 19' ' ' PRO . 1.3 m -148.75 149.61 31.09 Favored Pre-proline 0 C--O 1.233 0.198 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 172.505 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.411 ' O ' HG21 ' A' ' 18' ' ' VAL . 16.8 Cg_exo -69.23 154.29 70.05 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.892 2.395 . . . . 0.0 111.237 169.101 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -60.14 -37.0 78.77 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.442 0.163 . . . . 0.0 111.294 -178.175 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -59.49 -33.15 70.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.426 177.137 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -73.58 -38.35 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.232 174.861 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.9 m -55.76 -42.01 74.83 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.143 0.497 . . . . 0.0 109.699 173.726 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.29 -23.85 67.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.979 -179.54 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -85.06 -29.96 24.49 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.128 -178.237 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.3 ttp -91.3 -48.76 6.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.808 0.337 . . . . 0.0 111.828 179.258 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 32.6 m -77.06 -36.06 56.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -170.878 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.474 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 48.9 m -60.9 -50.06 86.53 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -177.595 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 74.1 Cg_exo -54.37 -23.35 30.4 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.431 2.088 . . . . 0.0 113.415 176.187 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.55 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 10.7 tp -70.31 -53.92 14.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.266 0.555 . . . . 0.0 110.626 176.627 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.95 -51.17 9.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.614 -174.89 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -130.73 112.04 12.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.596 -171.58 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.323 -0.559 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.739 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.691 0.281 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t -159.11 80.22 2.76 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.232 -179.65 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.42 -13.41 32.8 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.237 1.958 . . . . 0.0 112.381 176.874 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -82.82 -52.44 6.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.522 -178.121 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -66.6 -26.54 67.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.107 0.48 . . . . 0.0 110.197 179.356 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.5 80.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.302 175.119 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -63.18 -39.8 95.7 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.254 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.04 -43.43 95.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.219 177.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.9 -52.58 63.58 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.966 -178.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.53 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 83.9 m-85 -74.66 -38.57 62.42 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.465 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -64.29 -36.02 82.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 -175.785 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -80.43 -17.36 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.364 -178.302 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 85.5 m -51.86 -54.59 27.38 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.862 0.363 . . . . 0.0 111.242 -179.53 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -75.64 -26.66 57.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.908 0.385 . . . . 0.0 110.364 -177.291 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.19 -43.94 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.303 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.6 m120 -78.6 -77.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.183 -178.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.1 tttt 173.18 84.32 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.198 0.599 . . . . 0.0 109.646 169.668 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 p -163.49 125.23 1.55 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 121.78 -0.575 . . . . 0.0 110.89 175.716 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.94 143.79 90.93 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.953 2.435 . . . . 0.0 111.622 175.723 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -56.3 -37.61 70.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.527 -175.541 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -65.48 -47.45 76.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.662 0.268 . . . . 0.0 111.204 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 38.0 tt0 -69.49 -33.15 72.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.871 0.367 . . . . 0.0 110.529 177.534 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.47 -29.52 64.93 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.162 179.648 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -54.82 -35.0 63.46 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.175 174.469 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -67.25 -25.27 66.0 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.704 0.288 . . . . 0.0 110.431 -176.732 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.0 ttp -90.68 -47.4 7.68 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.5 -179.851 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.6 m -80.12 -10.92 59.79 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -175.811 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.67 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.3 p -59.92 -51.32 81.54 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -177.66 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.67 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.6 Cg_exo -61.17 -12.76 24.63 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.998 1.799 . . . . 0.0 112.66 178.194 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -90.28 -61.44 1.68 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.48 179.213 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -78.45 -32.49 48.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.223 -173.05 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 3.3 mmp_? -107.64 123.0 47.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.001 0.429 . . . . 0.0 110.416 -174.365 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.896 -179.798 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.616 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 18.6 t -174.04 82.74 0.36 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.034 -177.295 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.73 -25.59 76.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 121.705 1.603 . . . . 0.0 112.052 176.745 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -66.77 -41.38 87.82 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.496 -178.921 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.8 pt20 -64.03 -31.75 73.05 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.132 0.492 . . . . 0.0 110.451 -178.954 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.99 -41.45 67.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.274 175.834 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -62.84 -35.85 81.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.124 178.616 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.631 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 74.3 t80 -65.76 -39.98 91.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.47 176.54 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.4 t -62.62 -46.55 87.76 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.739 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 42.1 m-85 -69.32 -27.42 65.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.036 179.743 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.631 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 9.0 pt-20 -77.41 -43.64 31.93 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.581 -179.017 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.547 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -81.29 -26.41 35.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -176.626 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -56.22 -53.05 61.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.525 0.203 . . . . 0.0 111.407 -173.683 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -71.71 -29.13 64.22 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.397 178.785 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.71 -39.69 84.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.44 178.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 15.1 m120 -67.83 -76.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.03 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.585 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 175.92 84.09 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 O-C-N 123.715 0.635 . . . . 0.0 110.294 169.728 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -148.79 140.58 14.48 Favored Pre-proline 0 C--O 1.235 0.317 0 O-C-N 121.085 -1.009 . . . . 0.0 110.023 175.352 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 21.2 Cg_exo -66.64 154.86 72.94 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.869 2.38 . . . . 0.0 110.974 169.416 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -53.14 -43.39 66.92 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.197 0.453 . . . . 0.0 111.569 -175.717 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' ' 19' ' ' PRO . 5.6 p-10 -57.91 -40.0 79.3 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.356 -179.258 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -66.61 -39.94 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.438 177.272 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 28.9 t -62.93 -40.4 97.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.205 0.526 . . . . 0.0 109.684 178.154 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -64.03 -31.54 72.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.76 179.084 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -78.31 -27.34 47.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.918 0.39 . . . . 0.0 111.169 -175.481 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 40.4 ttp -90.59 -49.55 6.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.747 0.308 . . . . 0.0 111.608 178.78 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.4 m -86.17 -25.3 25.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -170.353 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.507 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 31.2 t -67.9 -51.21 29.59 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.504 -179.693 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.507 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 62.8 Cg_exo -57.65 -16.86 26.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 121.972 1.782 . . . . 0.0 112.863 175.753 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.417 HD21 ' C ' ' A' ' 30' ' ' LEU . 4.0 tt -70.34 -56.43 6.73 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.756 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -80.81 -56.42 4.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.778 -176.762 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -134.4 92.69 2.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.433 -171.256 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.31 178.498 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 120.63 0.252 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -165.22 68.84 1.3 Allowed Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -178.699 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.48 -41.91 73.25 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.765 2.31 . . . . 0.0 113.971 -175.206 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.1 -43.64 64.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.814 0.34 . . . . 0.0 111.045 -175.261 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -67.0 -33.34 75.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.092 0.473 . . . . 0.0 110.236 179.465 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.14 95.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.766 176.521 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -65.55 -34.03 77.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.962 179.659 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -67.09 -43.06 83.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.171 175.846 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -59.76 -51.79 68.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 -179.1 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.532 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 53.5 m-85 -70.0 -24.65 63.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.865 -178.036 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -78.39 -49.51 13.4 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.004 179.817 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.468 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -81.46 -23.14 37.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -172.763 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.446 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.7 p -56.05 -53.03 61.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.645 0.26 . . . . 0.0 111.154 -175.668 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -72.62 -28.82 63.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.553 0.216 . . . . 0.0 111.107 178.898 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.8 -41.57 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.452 178.325 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -65.71 -75.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.485 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tttp 173.67 85.53 0.0 OUTLIER 'General case' 0 C--O 1.23 0.041 0 O-C-N 123.827 0.705 . . . . 0.0 110.082 165.912 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER -145.75 143.28 19.33 Favored Pre-proline 0 C--O 1.236 0.367 0 CA-C-N 118.424 0.556 . . . . 0.0 109.605 174.118 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.38 153.12 79.67 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.837 2.358 . . . . 0.0 111.468 171.119 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -55.7 -44.01 76.99 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.093 0.406 . . . . 0.0 111.188 -176.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -59.44 -35.64 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.902 -179.542 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -71.78 -39.71 69.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.363 175.367 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.532 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 34.7 t -59.52 -42.19 91.7 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.733 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -58.68 -36.52 74.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.628 177.802 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -74.04 -31.61 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -173.562 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 ttp -82.58 -45.39 14.66 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.179 179.57 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 24.0 m -81.65 -17.78 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -172.873 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.671 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.4 p -61.09 -50.39 84.59 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.31 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.671 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -60.22 -16.68 41.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.133 1.888 . . . . 0.0 112.915 177.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 tp -85.96 -55.63 3.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.665 178.773 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -72.91 -36.44 67.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.628 -175.716 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -109.01 67.5 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.989 0.423 . . . . 0.0 110.222 -179.54 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.5 p . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.895 178.215 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 121.003 0.43 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -161.34 80.48 2.08 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.129 -177.525 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.09 -20.24 44.98 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 121.842 1.694 . . . . 0.0 111.364 174.56 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.25 -42.18 98.18 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.966 177.035 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -66.13 -45.83 79.67 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.383 179.722 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.77 89.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.325 177.92 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -64.12 -40.59 96.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.794 179.412 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -67.81 -40.68 83.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 110.374 179.432 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.8 t -58.77 -56.2 25.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.541 -178.381 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -70.57 -24.53 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 111.297 -177.725 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' O ' HG22 ' A' ' 15' ' ' VAL . 13.6 tp10 -65.66 -62.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.114 0.483 . . . . 0.0 110.074 176.642 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.492 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -74.68 -24.99 58.87 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -170.972 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -56.98 -58.02 9.99 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.107 -174.123 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -28.22 63.36 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.455 178.829 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 11' ' ' GLU . 79.4 t -65.65 -37.82 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.394 0.14 . . . . 0.0 110.663 177.963 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -64.66 -74.27 0.11 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.332 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 17' ' ' LYS . 19.4 pttp 175.46 84.49 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.913 0.758 . . . . 0.0 110.133 165.393 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -148.27 145.16 19.83 Favored Pre-proline 0 C--O 1.235 0.339 0 O-C-N 121.794 -0.566 . . . . 0.0 109.626 176.07 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.73 154.28 75.02 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.754 2.302 . . . . 0.0 110.946 168.668 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -57.08 -40.05 76.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.012 0.369 . . . . 0.0 111.171 -177.076 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.4 p30 -57.41 -45.68 84.33 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.525 178.291 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -60.31 -40.36 90.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.977 0.418 . . . . 0.0 110.512 175.992 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.0 t -62.26 -45.7 92.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.781 178.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -63.86 -35.29 80.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.951 178.818 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 88.8 mt-30 -64.38 -40.27 95.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.806 0.336 . . . . 0.0 110.647 -175.588 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 59.9 mtm -88.21 -33.67 18.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.501 -179.704 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 t -87.29 -13.22 44.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -173.132 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.573 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 4.0 p -58.4 -47.83 98.08 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.992 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.573 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 71.6 Cg_exo -54.89 -18.25 16.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.923 1.749 . . . . 0.0 113.223 176.176 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -90.49 -65.02 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.42 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' HG2' ' HG2' ' A' ' 32' ' ' ARG . 33.5 tt0 -80.46 -58.87 2.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.995 -172.531 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.546 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -134.62 98.33 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 -175.087 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.566 179.811 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.474 ' OG ' ' HB2' ' A' ' 5' ' ' GLN . 5.9 t -156.54 62.74 2.99 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.127 -178.245 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -53.99 -45.93 37.39 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.889 2.393 . . . . 0.0 113.5 -176.61 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -66.75 -47.54 71.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.948 0.404 . . . . 0.0 111.116 -176.519 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.474 ' HB2' ' OG ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -67.68 -31.23 71.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.81 -179.304 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.51 96.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 175.551 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -64.6 -39.55 93.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.989 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -65.47 -40.37 93.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.315 177.004 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.8 t -61.2 -51.78 67.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.309 -179.051 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.519 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 52.4 m-85 -69.68 -24.43 63.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.887 -178.196 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 15' ' ' VAL . 11.9 tp10 -76.68 -59.14 2.9 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.946 0.403 . . . . 0.0 110.337 -179.553 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.578 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -76.52 -18.69 58.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -171.58 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.463 ' O ' HG11 ' A' ' 18' ' ' VAL . 32.1 p -57.82 -57.99 10.34 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.664 0.269 . . . . 0.0 110.611 -177.353 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.564 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -76.37 -27.07 56.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.476 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.564 ' N ' HD21 ' A' ' 14' ' ' ASN . 79.5 t -66.12 -40.07 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.864 0.364 . . . . 0.0 110.054 177.308 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.471 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 50.2 t-20 -71.5 -73.48 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.708 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 66.9 tttp 175.43 86.04 0.0 OUTLIER 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.662 0.601 . . . . 0.0 110.528 171.052 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 HG11 ' O ' ' A' ' 13' ' ' CYS . 1.1 m -149.81 144.6 17.88 Favored Pre-proline 0 C--O 1.235 0.304 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 172.266 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' O ' HG23 ' A' ' 18' ' ' VAL . 21.8 Cg_exo -64.71 152.26 82.65 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.344 2.029 . . . . 0.0 111.175 170.65 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -54.55 -41.65 70.02 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 117.678 0.217 . . . . 0.0 110.864 -178.632 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -61.18 -38.51 86.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.798 -179.826 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -66.89 -39.92 87.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.89 0.376 . . . . 0.0 110.217 176.752 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.519 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 17.2 t -61.87 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.072 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -66.58 -28.32 68.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.483 177.133 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.577 ' HA ' HE21 ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.27 -36.48 66.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 -176.976 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.2 mtm -92.23 -50.3 5.74 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 179.864 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.9 m -77.64 -26.58 50.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -170.893 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.475 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 10.3 t -68.19 -48.11 37.77 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.78 -178.113 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.475 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 58.5 Cg_exo -58.89 -11.07 11.14 Favored 'Trans proline' 0 C--N 1.362 1.244 0 C-N-CA 122.374 2.049 . . . . 0.0 113.06 172.972 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -87.79 -56.53 3.3 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.08 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -73.74 -44.46 56.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.595 -173.716 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.436 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 3.1 mmp_? -119.81 86.28 2.53 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.102 0.477 . . . . 0.0 111.103 -172.552 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.842 173.783 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.489 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 11.2 t -173.08 74.37 0.41 Allowed Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.275 -177.829 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -55.37 -26.05 51.02 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.464 2.109 . . . . 0.0 113.104 178.912 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -70.58 -36.47 73.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.336 -177.112 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 2' ' ' SER . 11.6 pt20 -66.63 -34.45 77.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.264 0.554 . . . . 0.0 110.134 -179.362 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.56 -43.03 64.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.284 176.857 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.5 -37.4 87.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.128 179.29 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -64.24 -39.94 95.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.13 177.281 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.3 t -64.07 -51.48 63.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.228 -179.583 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.504 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 57.2 m-85 -67.9 -23.33 65.09 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.708 0.289 . . . . 0.0 111.571 -179.149 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 15' ' ' VAL . 9.7 tp10 -75.94 -62.53 1.57 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.197 0.522 . . . . 0.0 110.222 178.14 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.498 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -73.8 -19.14 60.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.514 -170.626 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 30.4 p -56.28 -59.24 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.742 -177.148 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.649 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -74.72 -27.1 60.23 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.416 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.649 ' N ' HD21 ' A' ' 14' ' ' ASN . 75.2 t -65.56 -40.46 88.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.521 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 14.2 m120 -67.1 -74.19 0.12 Allowed 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 176.673 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 15.2 mttp 174.63 86.53 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 O-C-N 124.002 0.814 . . . . 0.0 110.59 166.091 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -144.87 144.81 25.41 Favored Pre-proline 0 C--O 1.234 0.258 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 172.234 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.24 153.61 73.07 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.464 2.109 . . . . 0.0 110.978 170.605 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -57.29 -41.8 80.48 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.876 -177.603 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.6 p30 -58.96 -38.49 79.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.208 178.883 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -66.23 -40.47 90.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.818 0.342 . . . . 0.0 110.572 175.787 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 18.2 t -61.08 -40.62 94.37 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.001 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.405 ' O ' ' HB2' ' A' ' 28' ' ' SER . 47.5 t80 -66.24 -26.06 67.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.005 177.392 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 11.1 mm100 -80.54 -29.69 37.15 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.559 -0.713 . . . . 0.0 110.816 -178.251 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.5 ttp -91.61 -53.04 4.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.347 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 33.8 m -82.95 -28.18 30.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.022 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.482 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 19.3 m -67.64 -49.13 41.26 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -177.615 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 78.4 Cg_exo -56.67 -23.55 49.81 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 121.749 1.633 . . . . 0.0 112.409 173.416 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 1.8 tt -72.18 -59.69 2.61 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 176.184 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -65.52 -51.45 59.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.851 -174.738 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -125.35 101.37 6.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.055 0.455 . . . . 0.0 110.686 -172.985 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.13 179.102 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.731 0.301 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.524 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 9.4 t -175.51 76.62 0.3 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.009 -177.783 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.6 -27.61 61.15 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.223 1.949 . . . . 0.0 112.429 176.388 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.555 HE21 ' HA ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -63.74 -44.75 92.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.41 -179.804 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.5 pt20 -66.96 -32.55 73.87 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.641 -177.345 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.88 93.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.998 174.357 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -64.64 -34.77 79.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.242 178.197 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -62.95 -43.47 98.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.2 177.557 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.1 t -60.54 -46.55 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.048 178.854 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 47.3 m-85 -73.34 -28.45 62.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.284 -178.852 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 15' ' ' VAL . 30.5 tt0 -72.88 -49.67 28.45 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.486 179.434 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.524 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -79.91 -19.24 48.58 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -171.416 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 24.6 p -62.69 -55.96 22.02 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.615 -177.066 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.625 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -73.06 -26.04 61.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.639 179.506 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.625 ' N ' HD21 ' A' ' 14' ' ' ASN . 42.9 t -61.82 -44.78 99.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 176.705 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -70.0 -76.92 0.09 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.704 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 pttm 174.64 86.61 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.241 0.616 . . . . 0.0 110.472 168.884 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.1 m -140.87 143.47 31.91 Favored Pre-proline 0 C--N 1.327 -0.375 0 O-C-N 121.519 -0.738 . . . . 0.0 109.463 173.679 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.55 154.19 74.86 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.527 2.152 . . . . 0.0 111.39 172.031 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -53.19 -41.22 65.04 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.512 0.196 . . . . 0.0 111.249 -178.668 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -57.07 -48.9 77.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.204 179.736 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -61.82 -41.34 97.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.732 0.301 . . . . 0.0 110.442 177.673 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.7 t -62.24 -42.98 99.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.143 0.497 . . . . 0.0 109.859 179.457 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -64.83 -37.86 89.03 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.273 178.377 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -74.34 -31.58 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.659 0.266 . . . . 0.0 111.447 -174.086 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 ttp -81.1 -45.5 16.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.205 179.445 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 16.8 m -86.36 -11.73 51.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -173.898 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.657 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.0 p -60.14 -50.43 86.16 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.523 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.657 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 67.4 Cg_exo -56.07 -25.89 56.76 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 121.897 1.732 . . . . 0.0 112.492 178.254 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.45 ' C ' HD22 ' A' ' 30' ' ' LEU . 4.1 tt -78.07 -58.55 3.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.267 179.187 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -64.07 -42.84 96.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.256 -175.159 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.72 -86.58 0.07 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.453 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -178.194 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.614 0.245 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m -159.9 51.08 0.38 Allowed Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.486 177.562 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.36 -46.66 1.92 Allowed 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 121.988 1.792 . . . . 0.0 113.261 -173.348 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -65.62 -40.27 92.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.265 -175.642 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -63.96 -41.07 97.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.85 0.357 . . . . 0.0 110.626 179.401 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.12 -45.74 83.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.513 177.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -67.34 -38.86 85.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.019 -179.056 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.01 -42.11 99.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.25 178.489 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.3 t -60.28 -56.31 23.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.808 178.241 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -68.64 -18.9 64.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.711 -175.46 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -79.54 -56.06 4.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.65 173.936 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.488 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -81.62 -18.65 43.95 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -171.384 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -53.88 -53.69 49.13 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.591 0.234 . . . . 0.0 111.147 -175.955 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -72.26 -28.94 63.46 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.158 178.479 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.2 t -66.55 -37.35 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.75 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.5 m120 -70.35 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.152 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 22.8 ttpp 175.77 83.7 0.0 OUTLIER 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.646 0.591 . . . . 0.0 110.355 166.943 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.588 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -154.94 142.45 13.92 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 174.085 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.484 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.0 Cg_exo -66.61 153.62 77.33 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.715 2.277 . . . . 0.0 111.119 168.744 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.521 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 49.8 t80 -56.99 -38.2 72.72 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -177.092 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -58.94 -37.39 76.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.853 0.359 . . . . 0.0 110.412 177.251 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.588 ' OE1' ' HB ' ' A' ' 18' ' ' VAL . 64.8 tt0 -72.75 -33.93 66.69 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.319 176.306 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.521 ' SG ' ' HA ' ' A' ' 20' ' ' PHE . 56.5 m -55.72 -45.2 77.99 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.756 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -64.77 -40.79 95.85 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.999 179.423 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -64.3 -35.5 81.05 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.873 -174.111 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.2 ttp -83.76 -42.94 15.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.918 -177.919 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 97.0 m -103.97 6.89 36.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -172.852 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.65 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.1 p -56.67 -47.42 99.03 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.854 171.979 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.65 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 47.8 Cg_exo -62.44 -12.03 25.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.16 1.907 . . . . 0.0 112.848 174.789 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -89.76 -59.87 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.235 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -80.4 -40.27 26.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.018 -174.841 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 32' ' ' ARG . 3.4 mmp_? -95.81 160.98 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.907 0.384 . . . . 0.0 110.35 -176.919 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.531 -179.718 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -168.71 80.53 0.75 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.228 -176.952 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -58.49 -18.08 37.5 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.343 2.028 . . . . 0.0 112.86 178.268 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -70.38 -33.33 71.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.828 179.209 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.97 -41.46 97.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.205 0.526 . . . . 0.0 110.273 178.175 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.62 87.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.231 176.891 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -63.07 -35.48 80.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.458 179.168 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -62.96 -43.32 99.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.401 176.124 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.27 -49.21 74.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 -179.039 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.584 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 55.7 m-85 -67.46 -27.71 67.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.55 179.79 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.552 ' O ' HG22 ' A' ' 15' ' ' VAL . 39.7 tt0 -71.02 -55.27 8.65 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.124 176.941 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.524 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -70.64 -27.59 64.16 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -171.562 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.9 p -63.49 -50.37 69.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.391 . . . . 0.0 110.041 -179.229 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.22 -29.57 62.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.893 177.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 11' ' ' GLU . 44.9 t -63.36 -40.91 90.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.33 176.982 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.417 ' N ' HD21 ' A' ' 16' ' ' ASN . 0.9 OUTLIER -74.6 -77.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.818 179.002 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 173.95 86.23 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.626 0.579 . . . . 0.0 111.043 170.614 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -145.21 144.58 23.88 Favored Pre-proline 0 CA--C 1.534 0.356 0 O-C-N 121.654 -0.654 . . . . 0.0 109.745 174.072 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.99 154.21 75.38 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.852 2.368 . . . . 0.0 111.821 172.315 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -55.41 -44.67 76.41 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.923 0.329 . . . . 0.0 111.584 -175.842 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -57.75 -41.46 81.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.642 0.258 . . . . 0.0 111.148 -178.386 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.02 -38.28 79.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 176.505 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.584 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 21.9 t -61.85 -42.58 99.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.073 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -59.25 -39.21 82.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.042 177.003 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -62.53 -40.65 97.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.925 0.393 . . . . 0.0 110.749 -177.117 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.44 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 39.2 ttp -82.13 -44.17 16.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.681 -176.76 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.0 m -80.9 -21.22 40.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -173.656 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.668 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.5 p -60.23 -47.87 95.59 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.678 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.668 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 66.0 Cg_exo -57.11 -20.35 37.41 Favored 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 122.392 2.061 . . . . 0.0 113.182 178.157 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.65 -59.84 2.59 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.233 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -67.59 -35.02 78.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.245 -174.415 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -139.94 143.46 36.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.866 0.365 . . . . 0.0 110.385 -176.079 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.321 -0.67 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.049 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.872 0.368 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' ' 5' ' ' GLN . 32.5 t -169.59 84.81 0.61 Allowed Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.565 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.71 -29.06 49.88 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.399 2.066 . . . . 0.0 113.268 -178.181 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -68.35 -49.91 56.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.094 -179.665 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' HG2' ' HB3' ' A' ' 2' ' ' SER . 2.4 pt20 -64.92 -34.75 79.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 110.395 -177.598 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.24 84.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.249 176.844 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -62.39 -38.56 90.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.701 179.214 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.55 -38.17 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.707 177.583 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -57.67 -47.86 81.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 178.082 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.492 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 53.0 m-85 -68.9 -20.17 64.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.461 179.775 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -81.68 -51.43 8.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.766 176.496 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -80.11 -17.78 51.65 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -171.386 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 p -57.48 -55.85 29.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.618 0.247 . . . . 0.0 110.976 -175.76 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.672 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -71.54 -27.46 63.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.493 0.187 . . . . 0.0 111.179 177.152 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.672 ' N ' HD21 ' A' ' 14' ' ' ASN . 42.7 t -62.57 -42.65 96.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.39 177.975 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.518 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.9 m120 -69.37 -73.77 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.807 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.4 tttt 175.1 85.43 0.0 OUTLIER 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.669 0.605 . . . . 0.0 110.265 168.609 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -149.67 146.77 21.25 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-N 118.167 0.439 . . . . 0.0 109.879 174.779 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.491 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 13.5 Cg_exo -71.31 154.65 61.24 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.75 2.3 . . . . 0.0 111.135 168.254 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -52.52 -41.46 63.49 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.196 0.453 . . . . 0.0 111.857 -174.74 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.491 ' OD1' ' HB2' ' A' ' 19' ' ' PRO . 8.6 p-10 -58.78 -41.92 87.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.157 -178.673 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -67.34 -36.89 82.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.369 . . . . 0.0 110.09 176.108 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 38.9 t -58.46 -43.79 89.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.771 177.933 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -62.05 -42.88 99.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.558 177.212 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -74.98 -21.89 58.87 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.671 -171.283 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.5 ttp -90.39 -45.76 8.8 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.241 176.691 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -82.82 -26.13 32.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.66 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.503 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 23.2 t -62.62 -51.46 72.24 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-O 119.038 -0.506 . . . . 0.0 112.088 -177.773 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 89.3 Cg_exo -53.58 -32.76 65.51 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 122.083 1.855 . . . . 0.0 112.816 176.277 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.25 -51.02 61.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.775 176.367 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -75.88 -48.07 22.86 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.013 -174.129 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.572 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.0 mmp_? -79.73 97.33 6.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.991 0.424 . . . . 0.0 110.511 -177.658 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.891 179.386 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.861 0.362 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -169.6 78.52 0.67 Allowed Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.741 179.977 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.77 -27.58 27.37 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.537 2.158 . . . . 0.0 112.487 175.943 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -58.94 -35.94 73.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.289 177.553 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.19 -41.08 74.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.801 -179.761 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.02 94.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.126 176.677 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.18 -32.22 73.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.124 178.597 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -62.91 -43.81 97.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.389 178.284 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 t -60.06 -52.01 67.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.408 177.991 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.576 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 69.1 m-85 -68.67 -29.11 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.694 -176.254 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' O ' HG21 ' A' ' 15' ' ' VAL . 35.7 tt0 -69.87 -52.0 28.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.764 0.316 . . . . 0.0 110.416 176.108 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.513 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -81.16 -21.56 39.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -170.629 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -60.74 -50.1 74.85 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.931 -175.286 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -72.27 -29.03 63.51 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.918 178.194 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 11' ' ' GLU . 68.9 t -66.29 -36.32 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.378 179.206 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -73.5 -75.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 175.353 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 177.74 84.35 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.556 0.535 . . . . 0.0 111.017 169.33 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -149.09 141.66 15.33 Favored Pre-proline 0 C--O 1.236 0.372 0 O-C-N 121.333 -0.854 . . . . 0.0 109.721 172.072 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -68.21 154.96 71.09 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.948 2.432 . . . . 0.0 111.302 168.739 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -53.22 -44.51 68.11 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 117.987 0.358 . . . . 0.0 111.3 -177.847 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 3.8 p30 -56.98 -41.32 78.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.954 -179.659 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -66.18 -40.54 90.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.531 177.15 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 9.0 t -63.07 -40.05 96.53 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.819 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -64.06 -38.57 91.57 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.874 176.402 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 15.9 mm100 -71.32 -22.04 61.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.049 -173.031 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.0 ttp -90.81 -52.56 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.975 179.365 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.7 m -103.21 6.32 38.19 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -170.879 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.609 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 29.9 p -59.28 -44.98 99.13 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 119.627 -0.829 . . . . 0.0 111.592 172.687 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.609 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 75.2 Cg_exo -55.38 -22.62 34.62 Favored 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 121.795 1.664 . . . . 0.0 112.525 175.265 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.3 -61.2 2.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.122 177.722 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -79.82 -71.45 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.175 -173.21 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -146.95 117.91 7.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.144 0.497 . . . . 0.0 110.502 -179.56 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.321 -0.67 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.741 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 120.816 0.341 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -65.9 -36.42 83.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.511 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.97 81.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.271 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -63.7 -34.61 78.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.266 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.4 -43.53 94.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.361 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.4 t -64.41 -49.46 71.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.36 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.515 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 63.5 m-85 -67.47 -23.31 65.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.721 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 15' ' ' VAL . 42.6 tt0 -82.3 -54.07 5.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.696 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -70.17 -23.15 62.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -172.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 p -59.5 -51.78 68.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.745 0.307 . . . . 0.0 110.558 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -79.7 -28.84 40.61 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.146 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 11' ' ' GLU . 78.7 t -61.26 -41.96 91.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.552 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 82.7 m-20 -71.13 -76.87 0.1 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 81.7 tttt 172.45 87.29 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.681 0.613 . . . . 0.0 110.545 166.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -141.73 145.29 36.36 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 118.47 0.577 . . . . 0.0 109.521 172.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.69 152.43 69.28 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 123.04 2.494 . . . . 0.0 111.97 172.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -56.19 -44.37 79.36 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.544 0.211 . . . . 0.0 111.337 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.99 -38.06 87.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.031 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -68.62 -36.29 78.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.117 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 44.8 t -61.69 -47.22 86.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -61.57 -34.73 76.09 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.064 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.85 -38.64 89.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.008 0.432 . . . . 0.0 110.806 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.472 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 40.7 ttp -85.69 -43.33 13.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.783 -177.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.3 m -82.08 -20.12 38.81 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -172.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.645 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.7 p -58.92 -46.45 99.53 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.645 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 71.5 Cg_exo -54.36 -37.34 88.92 Favored 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 121.925 1.75 . . . . 0.0 112.529 177.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -68.96 -57.6 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.281 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.552 -173.101 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.593 0.235 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.27 -42.21 93.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.269 0.557 . . . . 0.0 110.197 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.73 91.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.472 176.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -63.81 -35.29 80.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.151 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.64 -40.72 97.89 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.419 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.07 -47.42 82.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.666 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.7 m-85 -69.48 -24.49 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.5 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 15' ' ' VAL . 10.8 tp10 -69.11 -64.08 0.94 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.14 0.495 . . . . 0.0 110.242 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -71.14 -23.65 62.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.442 -169.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 28.5 p -61.43 -51.94 66.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 110.203 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.421 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 64.7 t30 -72.8 -27.96 62.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 11' ' ' GLU . 60.1 t -66.68 -38.08 80.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.669 0.271 . . . . 0.0 110.737 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -73.86 -76.64 0.13 Allowed 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.855 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.1 pttp 174.91 85.35 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.786 0.679 . . . . 0.0 110.213 172.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -146.1 143.14 18.67 Favored Pre-proline 0 C--O 1.236 0.388 0 O-C-N 121.561 -0.712 . . . . 0.0 109.788 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.91 153.44 75.75 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.806 2.337 . . . . 0.0 111.384 170.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.83 -42.23 79.27 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.2 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.9 p30 -59.98 -40.74 90.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.643 0.259 . . . . 0.0 110.406 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -63.48 -40.6 97.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.965 0.412 . . . . 0.0 110.166 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.666 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 22.2 t -62.53 -44.38 96.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -57.9 -37.86 74.78 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.171 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 98.6 mt-30 -68.39 -36.17 78.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.827 0.346 . . . . 0.0 110.707 -174.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.0 ttp -85.6 -37.11 19.9 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.655 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.8 m -84.65 -20.56 31.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.602 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 17.8 p -61.94 -44.69 90.82 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.602 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 58.2 Cg_exo -57.95 -23.43 59.81 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 121.935 1.757 . . . . 0.0 112.674 174.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.32 -63.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.836 -175.198 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 4' ' ' GLN . 15.0 mm-40 . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -68.73 -38.8 80.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.211 0.529 . . . . 0.0 109.965 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.3 -43.08 87.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.171 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -63.02 -35.47 80.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.319 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.41 -42.58 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.36 -50.39 73.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.46 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.487 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 52.8 m-85 -66.63 -35.68 80.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.522 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.6 tp10 -65.4 -50.11 66.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.654 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.434 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 17.2 mm100 -64.01 -21.88 66.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.435 -177.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.568 ' HB3' HG22 ' A' ' 18' ' ' VAL . 61.2 m -57.94 -51.43 69.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.294 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.25 -28.5 38.44 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.985 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.434 ' HB ' ' HA ' ' A' ' 12' ' ' GLN . 55.3 t -57.45 -48.06 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.289 0.368 . . . . 0.0 110.42 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 61.1 m-20 -80.34 -80.56 0.13 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.829 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 64.1 tttp 170.36 87.79 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.44 0.696 . . . . 0.0 110.287 168.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -137.52 144.94 47.07 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 119.372 0.987 . . . . 0.0 110.04 174.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.422 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.3 Cg_exo -63.8 150.32 88.7 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.629 2.219 . . . . 0.0 111.334 172.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -58.76 -41.26 86.14 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -61.6 -37.61 84.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.671 0.272 . . . . 0.0 110.484 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -65.24 -43.13 92.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.291 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.4 t -63.08 -42.93 99.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.2 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -60.8 -32.14 71.49 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.42 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -71.07 -30.88 67.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.0 ttp -90.61 -48.01 7.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.985 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.0 m -82.6 -23.31 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -171.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.506 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 19.6 t -63.19 -49.47 80.06 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.762 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 60.9 Cg_exo -57.64 -14.98 18.84 Favored 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 122.05 1.833 . . . . 0.0 113.159 176.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tt -85.02 -58.43 2.7 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.475 -175.212 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 111.788 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -76.92 -34.54 57.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.143 0.497 . . . . 0.0 110.275 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.37 90.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.822 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -62.57 -34.2 76.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.799 178.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.424 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 85.6 t80 -67.0 -40.94 87.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.348 175.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.2 t -59.31 -47.51 85.13 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.41 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 59.2 m-85 -71.45 -29.61 65.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.841 -178.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.54 -53.15 17.26 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.637 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 21.6 mm-40 -80.34 -19.49 46.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -169.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.7 p -57.28 -55.44 34.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.601 0.239 . . . . 0.0 111.048 -175.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -69.54 -28.97 66.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.655 0.264 . . . . 0.0 110.919 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.7 t -68.79 -39.26 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.398 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.532 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 83.2 m-20 -67.87 -75.98 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 44.8 mttt 174.87 85.03 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.836 0.855 . . . . 0.0 109.993 171.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.424 ' HB ' ' HG2' ' A' ' 22' ' ' GLN . 1.4 m -149.16 142.72 16.26 Favored Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 118.528 0.604 . . . . 0.0 110.062 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -65.38 155.53 68.21 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.085 2.523 . . . . 0.0 111.463 168.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -55.76 -44.17 77.4 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.318 0.508 . . . . 0.0 111.785 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -60.14 -38.06 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.745 0.307 . . . . 0.0 111.068 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.424 ' HG2' ' HB ' ' A' ' 18' ' ' VAL . 5.4 tp-100 -64.61 -40.09 94.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.061 0.457 . . . . 0.0 110.012 173.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 35.9 t -61.41 -46.91 88.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.118 0.485 . . . . 0.0 109.708 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -63.26 -40.84 98.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.45 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -73.03 -24.27 60.7 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.866 -172.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.3 ttp -87.95 -44.0 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.599 0.238 . . . . 0.0 111.227 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.91 -24.68 30.65 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.661 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 35.7 p -62.44 -46.82 89.87 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.661 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -60.55 -14.24 29.8 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 122.068 1.845 . . . . 0.0 112.886 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.0 tp -87.31 -58.09 2.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.322 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.077 -174.837 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.432 0.158 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -63.46 -27.58 69.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.118 0.485 . . . . 0.0 110.479 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.08 88.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.86 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.44 -36.93 81.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.752 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -66.85 -43.4 83.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.275 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -56.5 -49.77 73.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.863 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.534 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.1 m-85 -68.85 -43.41 75.5 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.781 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.1 tt0 -63.57 -38.5 91.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.998 -175.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -79.1 -18.27 53.61 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.656 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.402 ' CA ' HG13 ' A' ' 18' ' ' VAL . 13.3 m -55.05 -60.5 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.464 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -70.72 -26.71 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.048 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 11' ' ' GLU . 53.4 t -61.72 -45.13 99.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.493 176.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 67.1 m-20 -79.33 -77.08 0.18 Allowed 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.781 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.591 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 176.46 84.05 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.21 0.604 . . . . 0.0 110.296 170.364 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -161.61 127.67 2.36 Favored Pre-proline 0 C--O 1.235 0.332 0 O-C-N 121.315 -0.865 . . . . 0.0 110.353 175.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 34.6 Cg_exo -60.72 152.11 71.73 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.334 2.689 . . . . 0.0 112.503 176.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -55.44 -43.17 75.13 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -177.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -61.79 -42.39 98.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 111.334 -177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -69.28 -34.61 74.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.846 0.355 . . . . 0.0 110.375 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.1 t -64.22 -38.03 89.61 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 28' ' ' SER . 23.0 t80 -56.99 -35.47 69.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.175 176.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -69.69 -30.48 68.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 35.6 ttp -91.33 -53.93 4.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 37.3 m -77.82 -26.07 49.29 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 33.4 m -62.99 -50.66 75.74 Favored Pre-proline 0 CA--C 1.534 0.354 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.24 -39.46 62.12 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.962 1.775 . . . . 0.0 112.493 174.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 16.2 tp -56.44 -56.13 25.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.099 175.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.98 -173.84 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -76.19 -42.84 44.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.165 0.507 . . . . 0.0 109.933 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.66 86.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.337 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 28.4 tptp -61.87 -37.17 83.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -65.7 -43.52 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.6 t -62.87 -51.26 67.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.544 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.1 m-85 -67.74 -30.72 70.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.194 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 15' ' ' VAL . 31.1 tt0 -72.18 -49.45 35.47 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -80.85 -23.45 39.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -173.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -58.77 -56.5 21.41 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.922 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -72.03 -26.4 62.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 11' ' ' GLU . 49.8 t -67.6 -38.58 80.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.422 0.153 . . . . 0.0 110.778 177.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 5.8 m-20 -68.27 -75.17 0.11 Allowed 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 88.6 tttt 174.38 85.4 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 O-C-N 123.794 0.683 . . . . 0.0 109.885 167.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -147.1 145.29 21.64 Favored Pre-proline 0 C--O 1.236 0.367 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.306 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.5 Cg_exo -64.25 149.17 90.75 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.893 2.395 . . . . 0.0 111.034 170.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -58.74 -39.8 81.95 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.639 0.257 . . . . 0.0 111.185 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -61.31 -34.67 75.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.862 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -73.31 -37.78 66.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.503 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 26.6 t -59.34 -39.61 83.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -65.97 -17.63 64.81 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.541 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -81.43 -40.53 23.23 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.889 -0.507 . . . . 0.0 110.004 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.2 ttp -87.72 -42.87 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.181 -175.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.8 m -83.13 -16.44 46.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.66 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 30.2 p -61.76 -46.99 93.14 Favored Pre-proline 0 CA--C 1.543 0.678 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.66 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 51.3 Cg_exo -58.41 -21.65 54.65 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.894 1.73 . . . . 0.0 112.791 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 tt -80.72 -56.81 3.89 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.279 -175.95 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.567 0.222 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -61.78 -43.64 98.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.108 0.48 . . . . 0.0 110.474 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.77 86.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.554 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -64.73 -38.15 90.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.072 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -64.34 -43.09 95.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.359 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.0 t -58.92 -46.98 86.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.954 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.561 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.3 m-85 -72.03 -38.31 69.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.016 -178.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 15' ' ' VAL . 31.6 tt0 -65.22 -45.15 85.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.527 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -68.09 -21.43 64.97 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.214 -176.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.441 ' CA ' HG13 ' A' ' 18' ' ' VAL . 49.6 m -59.31 -52.14 66.93 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.131 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -77.25 -28.55 53.61 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.939 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 11' ' ' GLU . 73.2 t -62.37 -45.47 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.253 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 77.9 m-20 -81.74 -77.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.286 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 56.3 tttm 172.88 86.94 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 O-C-N 123.452 0.47 . . . . 0.0 110.54 170.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.441 HG13 ' CA ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -159.38 130.94 3.99 Favored Pre-proline 0 N--CA 1.466 0.352 0 O-C-N 121.709 -0.619 . . . . 0.0 110.637 176.059 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 32.3 Cg_exo -59.64 152.15 64.63 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.659 2.906 . . . . 0.0 112.765 177.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.33 -39.6 83.64 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.726 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -65.11 -42.24 94.14 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.236 -0.186 . . . . 0.0 111.091 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -70.15 -36.07 74.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 110.304 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 12.1 t -60.62 -41.99 95.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -57.92 -35.46 71.1 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.218 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -66.12 -35.24 79.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.151 0.5 . . . . 0.0 110.211 -175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.416 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 34.3 ttp -90.15 -43.63 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.071 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.5 m -81.96 -16.09 51.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -174.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.68 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.8 p -58.47 -49.82 91.42 Favored Pre-proline 0 CA--C 1.541 0.635 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.783 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.68 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 73.2 Cg_exo -54.89 -29.2 62.45 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 122.028 1.819 . . . . 0.0 112.984 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -70.67 -54.16 12.94 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.658 -173.636 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 120.439 0.161 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.15 -31.77 72.81 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.228 0.537 . . . . 0.0 109.931 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.13 -44.63 71.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.176 174.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -61.32 -38.2 86.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.239 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -61.43 -38.67 87.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.213 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.7 t -63.13 -49.09 75.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.13 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.628 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.4 m-85 -72.22 -22.98 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.005 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.9 tm-20 -81.96 -51.42 8.08 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -78.05 -19.84 53.51 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 p -59.45 -53.93 52.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.678 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -73.33 -28.76 62.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.017 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' GLU . 53.5 t -62.63 -40.78 89.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.648 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 91.8 m-20 -68.69 -75.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.6 tttt 174.44 86.38 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.582 0.552 . . . . 0.0 110.081 167.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -145.5 145.32 25.61 Favored Pre-proline 0 C--O 1.235 0.307 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 173.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.37 154.51 73.31 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.77 2.313 . . . . 0.0 111.653 171.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -55.3 -44.56 75.85 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 117.557 0.162 . . . . 0.0 111.373 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.588 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.9 p-10 -59.4 -39.99 85.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.756 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -65.38 -41.03 94.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.992 0.425 . . . . 0.0 110.428 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.628 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.0 t -60.61 -42.95 97.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.246 0.546 . . . . 0.0 109.531 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -63.54 -28.71 70.13 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.59 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 75.0 mt-30 -73.03 -37.15 67.02 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.747 -175.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 56.7 mtm -86.06 -41.87 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.721 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.8 m -84.17 -12.22 55.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -173.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.663 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.8 p -62.5 -50.26 79.6 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.663 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.7 Cg_exo -58.64 -21.94 58.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 121.645 1.563 . . . . 0.0 112.363 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -80.85 -63.47 1.4 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.609 -173.755 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 . . . . . 0 C--O 1.231 0.08 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -69.49 -37.91 77.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.39 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.62 -43.61 76.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.054 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -62.64 -31.5 72.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.026 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.459 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 63.7 t80 -67.35 -41.54 85.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.442 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.53 -46.79 88.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.193 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.567 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 85.2 m-85 -74.4 -24.07 59.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.904 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.8 pt-20 -76.57 -47.67 21.75 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.611 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.41 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 22.4 mm-40 -75.69 -26.03 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.226 -0.296 . . . . 0.0 111.573 -172.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HB2' HG21 ' A' ' 18' ' ' VAL . 28.9 p -59.81 -55.19 37.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.475 0.179 . . . . 0.0 110.974 -176.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -73.36 -26.55 61.06 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.612 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 11' ' ' GLU . 36.9 t -62.63 -42.37 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 74.2 m-20 -70.93 -76.4 0.1 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.714 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.57 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.34 85.22 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 O-C-N 123.792 0.683 . . . . 0.0 110.078 168.8 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.422 HG21 ' HB2' ' A' ' 13' ' ' CYS . 1.3 m -144.56 142.32 19.09 Favored Pre-proline 0 C--O 1.235 0.29 0 O-C-N 120.843 -1.161 . . . . 0.0 110.365 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.411 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 20.4 Cg_exo -66.72 154.99 72.54 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.846 2.364 . . . . 0.0 111.161 169.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.18 -42.56 66.32 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.123 0.419 . . . . 0.0 111.586 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.536 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 6.6 p-10 -58.71 -40.5 83.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.52 0.2 . . . . 0.0 110.582 -178.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -65.67 -40.89 92.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.795 0.331 . . . . 0.0 110.525 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.6 t -61.43 -43.86 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.14 -30.69 71.21 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.595 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 21.9 mm-40 -70.28 -38.45 75.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.978 0.418 . . . . 0.0 110.733 -176.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.9 ttp -82.93 -39.53 21.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.741 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.1 m -86.12 -14.73 43.33 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -174.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.69 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 4.6 p -59.13 -51.19 83.48 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.69 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.9 Cg_exo -61.9 -12.8 27.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 121.99 1.794 . . . . 0.0 112.95 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -91.68 -65.69 0.99 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.271 0.557 . . . . 0.0 109.584 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.91 -170.705 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 120.878 0.371 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 13.2 mm-40 -71.27 -40.26 71.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.004 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.26 86.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.812 0.339 . . . . 0.0 110.246 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -62.37 -39.48 93.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.012 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.536 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 55.4 t80 -66.5 -37.72 85.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.235 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.57 -50.58 73.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.663 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -78.31 -26.64 47.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.379 -175.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.553 ' HG3' ' HG2' ' A' ' 12' ' ' GLN . 10.5 pt-20 -74.18 -46.6 41.09 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.843 -178.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.553 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 23.1 mm-40 -79.83 -24.54 41.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -173.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.469 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.9 p -58.26 -53.58 56.72 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.059 -0.257 . . . . 0.0 111.126 -174.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.91 -28.79 61.71 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.639 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.1 t -66.32 -40.48 86.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 0.0 110.402 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 90.0 m-20 -70.08 -73.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 54.6 tttm 176.69 84.5 0.01 OUTLIER 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.355 0.409 . . . . 0.0 110.937 169.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.521 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -150.6 143.0 16.0 Favored Pre-proline 0 C--O 1.235 0.312 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.577 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.417 ' O ' HG23 ' A' ' 18' ' ' VAL . 18.8 Cg_exo -65.99 148.22 85.49 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.472 2.115 . . . . 0.0 110.935 171.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.74 -42.08 74.87 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.23 0.468 . . . . 0.0 111.272 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -56.33 -44.1 79.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.995 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.521 ' OE1' ' HB ' ' A' ' 18' ' ' VAL . 35.8 tt0 -64.43 -38.08 89.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.228 177.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.8 t -63.26 -45.36 91.85 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.91 -40.19 94.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -66.19 -32.0 73.17 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.838 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.5 ttp -90.03 -41.36 11.75 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -92.45 -9.23 42.27 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -172.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.602 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.3 p -58.69 -43.73 98.19 Favored Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.602 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.5 Cg_exo -59.63 -11.16 13.4 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 121.863 1.709 . . . . 0.0 113.271 175.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -89.3 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.574 -175.035 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -73.34 -26.87 61.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.09 0.471 . . . . 0.0 110.588 -177.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.4 95.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.613 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -64.68 -32.12 73.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.179 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -64.35 -45.31 88.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.127 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -60.79 -49.94 75.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.315 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.651 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.5 m-85 -70.36 -29.11 65.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.888 -178.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.2 tt0 -75.61 -52.78 9.78 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.813 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -76.59 -21.72 55.21 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -171.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.475 ' O ' HG13 ' A' ' 18' ' ' VAL . 31.7 p -60.04 -55.0 39.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.005 0.431 . . . . 0.0 110.163 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.43 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 4.5 t-20 -70.58 -28.95 65.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.632 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 11' ' ' GLU . 48.0 t -66.44 -44.33 90.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.75 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 87.8 m-20 -65.37 -74.69 0.1 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 60.1 tttp 175.25 84.66 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 O-C-N 123.588 0.555 . . . . 0.0 110.469 166.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER -145.21 141.85 17.63 Favored Pre-proline 0 C--O 1.235 0.341 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 172.596 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -68.51 155.31 69.46 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.08 2.52 . . . . 0.0 111.757 170.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -51.59 -43.3 62.43 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.09 -39.87 87.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.37 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -69.07 -36.47 77.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.953 0.406 . . . . 0.0 110.102 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.651 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.5 t -62.41 -43.55 98.55 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -59.89 -36.04 76.1 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.212 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -65.54 -36.25 83.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 0.0 110.81 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.433 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 42.7 ttp -86.93 -42.4 13.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.708 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.9 m -84.64 -18.11 36.45 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -173.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.637 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 58.7 p -62.56 -44.27 86.55 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 78.2 Cg_exo -56.11 -20.68 31.79 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 121.962 1.775 . . . . 0.0 112.566 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 tt -90.71 -63.33 1.29 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.055 -170.628 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.658 0.266 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -64.45 -32.71 74.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 110.156 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.45 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -62.28 -43.26 99.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.636 176.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -65.08 -34.43 78.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.044 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -65.12 -45.11 86.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.075 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.3 t -56.78 -52.36 65.33 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.537 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.662 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m-85 -70.82 -19.29 62.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.005 -176.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.5 tt0 -79.61 -50.53 10.53 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.641 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -80.56 -22.06 41.13 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -171.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.406 ' O ' HG13 ' A' ' 18' ' ' VAL . 26.9 p -60.29 -54.37 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.198 -0.201 . . . . 0.0 111.123 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -71.72 -28.57 63.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.571 0.224 . . . . 0.0 111.355 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 11' ' ' GLU . 55.7 t -64.01 -35.61 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.739 0.304 . . . . 0.0 110.26 176.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 87.0 m-20 -75.33 -73.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 57.2 tttp 176.25 83.87 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.484 0.49 . . . . 0.0 110.372 170.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -152.47 142.7 15.15 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 172.58 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' O ' HG23 ' A' ' 18' ' ' VAL . 15.7 Cg_exo -68.82 154.73 70.57 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.762 2.308 . . . . 0.0 111.786 170.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -51.0 -46.09 61.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 117.723 0.238 . . . . 0.0 111.325 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.58 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.9 p30 -59.06 -41.37 87.77 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.205 -178.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -67.81 -35.41 78.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.868 0.366 . . . . 0.0 110.519 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.662 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 12.1 t -63.12 -41.38 99.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.28 -33.24 75.09 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.501 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 99.2 mt-30 -65.2 -36.04 82.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.054 0.454 . . . . 0.0 110.419 -175.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.5 ttp -82.85 -48.02 11.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.094 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.27 7.51 40.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -172.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.628 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.0 p -54.57 -46.22 99.28 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-O 119.068 -0.492 . . . . 0.0 112.301 172.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.628 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 53.2 Cg_exo -61.03 -14.6 34.12 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.871 1.714 . . . . 0.0 112.94 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 6' ' ' ALA . 1.9 tt -91.29 -60.53 1.87 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.467 -174.483 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 . . . . . 0 CA--C 1.523 -0.073 0 CA-C-O 120.426 0.155 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.443 ' HG3' HD21 ' A' ' 30' ' ' LEU . 2.8 pt20 -65.44 -34.27 77.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.956 0.408 . . . . 0.0 110.507 -178.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.29 -43.96 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.213 174.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HZ3' ' HB3' ' A' ' 11' ' ' GLU . 26.6 tptp -59.38 -39.36 83.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.366 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.451 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 53.0 t80 -66.44 -38.84 88.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.747 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.62 -45.25 94.72 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.305 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.523 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 70.3 m-85 -74.33 -40.13 62.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.364 -176.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.8 pt-20 -71.62 -36.34 70.75 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.38 -176.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -67.47 -23.32 65.49 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.172 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.439 ' O ' HG13 ' A' ' 18' ' ' VAL . 51.0 m -57.39 -54.36 47.68 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.88 176.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -72.63 -27.81 62.36 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.957 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 11' ' ' GLU . 72.6 t -65.9 -37.74 80.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.527 176.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.593 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 81.3 m-20 -81.32 -77.42 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.962 178.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 31.7 mttm 172.96 85.77 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.339 1.056 . . . . 0.0 109.961 169.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -160.27 129.81 3.29 Favored Pre-proline 0 CA--C 1.537 0.451 0 O-C-N 121.898 -0.501 . . . . 0.0 110.929 177.505 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 25.9 Cg_exo -63.23 151.59 84.08 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.392 2.728 . . . . 0.0 112.59 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -54.15 -45.53 72.04 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -174.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -60.78 -38.52 85.58 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.693 0.282 . . . . 0.0 111.296 -176.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -71.95 -36.36 69.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.319 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 30.8 t -62.12 -39.82 93.8 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.98 -29.39 65.19 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.6 177.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -75.16 -27.84 59.85 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.551 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 43.7 ttp -90.74 -46.1 8.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.865 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.7 m -84.41 -2.2 56.78 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.627 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 2.7 p -58.99 -49.88 90.95 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.627 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.0 Cg_exo -58.22 -16.59 28.62 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 121.839 1.693 . . . . 0.0 112.658 177.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.443 HD21 ' HG3' ' A' ' 5' ' ' GLN . 2.4 tt -90.55 -64.38 1.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.896 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.011 -172.29 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? . . . . . 0 N--CA 1.462 0.136 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -77.49 -28.46 52.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.335 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.64 89.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.507 176.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.24 -35.21 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.638 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -66.9 -41.66 86.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.031 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.8 t -61.12 -48.69 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.203 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -72.17 -22.25 61.32 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -87.89 -43.49 11.76 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.514 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -81.79 -17.9 45.99 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -175.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.1 p -56.54 -55.32 35.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -70.62 -28.18 64.64 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.498 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.3 t -65.27 -40.5 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.743 0.306 . . . . 0.0 110.659 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -69.04 -74.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.552 ' O ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.93 85.29 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.898 0.749 . . . . 0.0 110.322 169.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -149.69 144.2 17.54 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 121.278 -0.889 . . . . 0.0 109.763 173.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -68.4 154.92 70.88 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.906 2.404 . . . . 0.0 111.484 168.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -51.66 -45.53 63.43 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.871 0.305 . . . . 0.0 111.555 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 5.5 p-10 -59.16 -39.93 84.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.699 0.285 . . . . 0.0 111.027 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -66.57 -37.85 85.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.85 0.357 . . . . 0.0 110.468 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.0 t -59.85 -44.76 93.94 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.94 -40.93 95.16 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.249 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 51.2 mt-30 -62.31 -39.37 92.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.809 0.338 . . . . 0.0 111.108 -174.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.9 ttp -83.19 -45.83 13.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.898 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.9 m -86.26 -15.82 39.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -172.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.665 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 38.9 p -62.97 -47.2 87.07 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.665 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 53.0 Cg_exo -60.46 -15.22 34.66 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 121.946 1.764 . . . . 0.0 112.788 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.56 -59.08 2.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.055 -174.472 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 120.679 0.276 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -66.62 -29.22 69.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.797 0.332 . . . . 0.0 110.965 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.13 -32.92 74.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.693 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -61.04 -32.09 71.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.072 177.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.498 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 80.3 t80 -67.59 -36.23 80.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.432 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.3 t -62.97 -50.71 69.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.948 0.404 . . . . 0.0 110.05 174.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.511 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 46.1 m-85 -65.26 -26.49 68.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.023 -176.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 15' ' ' VAL . 10.6 pt-20 -78.88 -50.4 11.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.54 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.47 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 21.9 mm-40 -73.06 -25.78 61.04 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -174.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -59.53 -47.61 84.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.909 0.385 . . . . 0.0 110.336 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -74.55 -28.96 61.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 178.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.7 t -68.19 -40.61 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.682 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 73.7 m-20 -70.51 -76.39 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 20.5 mttm 173.27 85.89 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.829 0.852 . . . . 0.0 110.36 168.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -143.15 143.63 25.45 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.75 153.63 71.14 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.63 2.22 . . . . 0.0 111.171 171.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.07 -43.17 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.749 0.249 . . . . 0.0 110.949 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -57.58 -40.75 79.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.646 0.26 . . . . 0.0 110.915 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -65.7 -41.76 91.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.521 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.511 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.2 t -60.53 -43.55 97.04 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.81 -45.75 92.51 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.352 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -64.86 -31.3 72.46 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.36 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.0 ttp -78.35 -50.3 12.01 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.585 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.7 m -107.16 5.63 27.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -171.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.687 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.8 p -59.58 -47.13 98.4 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.235 170.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.687 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 32.2 Cg_exo -63.94 -15.11 47.24 Favored 'Trans proline' 0 C--N 1.364 1.346 0 C-N-CA 121.971 1.781 . . . . 0.0 112.836 174.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.3 -56.28 4.69 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.629 -174.957 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 N--CA 1.461 0.121 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -68.48 -38.68 81.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.33 0.586 . . . . 0.0 110.242 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.19 -39.63 75.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.184 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -64.13 -36.55 84.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.266 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.46 -40.5 96.83 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.172 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t -63.97 -50.49 68.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.362 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.607 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m-85 -64.32 -24.19 67.56 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.884 0.373 . . . . 0.0 111.445 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 15' ' ' VAL . 9.3 tp10 -73.41 -62.48 1.46 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.12 0.486 . . . . 0.0 110.185 176.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -72.64 -20.12 61.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -171.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 31.9 p -59.17 -60.98 3.0 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.416 -174.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.442 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 21.9 p-10 -70.77 -27.89 64.26 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.901 -0.319 . . . . 0.0 111.131 178.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 11' ' ' GLU . 41.4 t -58.6 -43.06 86.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 O-C-N 123.138 0.274 . . . . 0.0 110.57 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -70.26 -74.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 22.6 pttp 176.68 84.47 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.646 0.591 . . . . 0.0 110.786 169.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -146.2 141.13 16.14 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 121.565 -0.71 . . . . 0.0 109.523 173.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.66 155.18 70.42 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.946 2.431 . . . . 0.0 111.362 169.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -52.41 -44.05 65.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 117.952 0.342 . . . . 0.0 111.636 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -59.55 -39.85 85.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.718 0.294 . . . . 0.0 110.711 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -66.27 -39.27 89.31 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.822 0.344 . . . . 0.0 110.211 176.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.607 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 34.9 t -60.76 -44.9 96.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -59.89 -40.71 89.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -68.98 -27.48 65.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.521 -173.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.2 ttp -90.33 -47.57 7.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.706 0.289 . . . . 0.0 111.39 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.0 m -77.11 -26.85 53.75 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.574 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 47.2 t -64.9 -54.55 34.15 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 120.211 -0.595 . . . . 0.0 111.451 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 55.6 Cg_exo -57.66 -21.35 46.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.116 1.877 . . . . 0.0 112.968 175.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.6 -57.21 5.46 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.269 -177.007 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.587 0.232 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -65.19 -31.21 72.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.124 0.487 . . . . 0.0 110.264 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.68 85.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.586 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -65.3 -32.52 74.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.775 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -64.48 -41.16 96.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.182 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 t -60.99 -48.57 81.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.869 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.2 m-85 -68.63 -29.28 67.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.99 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 15' ' ' VAL . 34.8 tt0 -72.56 -48.8 37.1 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.59 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -80.78 -25.24 38.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -171.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' HG13 ' A' ' 18' ' ' VAL . 31.4 p -56.73 -56.36 22.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.608 0.242 . . . . 0.0 110.989 -175.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -71.76 -27.05 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 11' ' ' GLU . 49.8 t -66.2 -36.74 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.625 0.25 . . . . 0.0 110.462 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -72.45 -75.58 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.58 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER 176.95 84.96 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 O-C-N 123.647 0.592 . . . . 0.0 110.5 168.708 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER -147.09 140.77 15.24 Favored Pre-proline 0 C--O 1.235 0.298 0 O-C-N 121.076 -1.015 . . . . 0.0 109.662 173.603 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.76 153.1 79.6 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.951 2.434 . . . . 0.0 111.743 172.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -54.67 -45.63 73.9 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.587 0.218 . . . . 0.0 111.587 -175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.92 -36.13 76.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.179 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -70.51 -40.35 73.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.783 0.325 . . . . 0.0 110.296 175.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 28.9 t -61.08 -43.25 99.17 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -60.2 -37.83 81.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.27 177.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -72.17 -28.48 63.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.1 ttp -90.37 -47.75 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.8 m -83.11 -20.57 34.59 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -172.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.508 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 27.8 t -62.22 -52.93 63.18 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 121.828 -0.545 . . . . 0.0 111.982 178.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.508 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 78.2 Cg_exo -56.02 -21.57 34.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 122.204 1.936 . . . . 0.0 113.101 175.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -75.01 -50.13 17.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 177.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.694 -173.602 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.306 0.098 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -68.29 -33.39 74.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.329 -178.679 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 5' ' ' GLN . . . -67.36 -37.14 82.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.227 175.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -66.18 -29.9 70.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.835 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.49 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 74.6 t80 -66.71 -42.54 86.22 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.189 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 t -53.96 -53.33 54.37 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.033 0.444 . . . . 0.0 110.372 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.46 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 67.8 m-85 -65.33 -34.51 78.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.323 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.7 tp10 -59.59 -50.6 73.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.284 177.155 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 24.3 mm-40 -61.07 -27.34 68.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.604 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.469 ' HB3' HG22 ' A' ' 18' ' ' VAL . 59.4 m -61.84 -52.04 65.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.127 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -75.63 -28.0 58.64 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.864 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 11' ' ' GLU . 52.9 t -61.71 -43.02 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.686 175.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -86.0 -78.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.613 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.5 tptt 173.38 86.88 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.076 0.55 . . . . 0.0 109.807 174.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.469 HG22 ' HB3' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -154.66 131.92 6.2 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 121.627 -0.671 . . . . 0.0 110.046 175.051 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.0 150.8 84.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.058 2.506 . . . . 0.0 111.879 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -57.59 -41.07 80.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.405 0.145 . . . . 0.0 111.071 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -58.9 -38.32 78.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.769 0.319 . . . . 0.0 111.363 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -75.16 -41.26 58.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.521 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 10.2 t -62.64 -36.42 82.76 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.165 0.507 . . . . 0.0 109.861 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.4 -32.92 71.78 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.273 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -76.3 -18.25 59.05 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.776 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.4 ttp -90.18 -44.95 9.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.829 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.3 m -106.99 6.29 28.96 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -174.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.633 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 8.0 p -59.88 -43.63 95.18 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.803 168.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.633 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.8 Cg_exo -60.93 -11.13 16.82 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 121.893 1.729 . . . . 0.0 112.498 173.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt -90.31 -70.34 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.47 -175.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 120.627 0.251 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -69.8 -36.99 76.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.044 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.34 80.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.711 0.291 . . . . 0.0 110.475 175.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -63.73 -35.85 81.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.863 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.7 -40.25 94.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.346 176.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.8 t -64.41 -50.22 68.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.92 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.51 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 49.9 m-85 -65.46 -25.72 67.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.702 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 34.2 tt0 -80.33 -51.61 8.67 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.626 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -78.67 -19.83 51.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.9 p -56.73 -55.86 28.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.679 0.276 . . . . 0.0 110.596 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -74.42 -31.23 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.64 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' GLU . 73.4 t -62.92 -43.88 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.484 0.183 . . . . 0.0 110.525 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 92.8 m-20 -66.22 -74.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 82.2 tttt 175.94 85.1 0.0 OUTLIER 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.516 0.51 . . . . 0.0 110.744 168.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -147.19 143.34 18.04 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 171.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.91 155.11 72.22 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.886 2.391 . . . . 0.0 111.233 169.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -52.54 -43.75 65.37 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.147 0.43 . . . . 0.0 111.63 -177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -57.67 -36.47 71.95 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.737 0.303 . . . . 0.0 110.907 -178.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -71.71 -35.69 70.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.835 0.35 . . . . 0.0 110.713 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.5 t -65.74 -42.71 90.66 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -65.33 -27.34 68.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.467 0.651 . . . . 0.0 110.604 175.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -74.23 -39.63 62.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.346 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 38.2 ttp -91.61 -53.02 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 61.5 m -79.92 -31.09 40.12 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -169.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.443 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 21.4 m -63.59 -46.8 83.46 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -176.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 84.6 Cg_exo -53.95 -31.24 62.47 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 122.016 1.811 . . . . 0.0 112.814 173.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 3.7 tt -64.89 -50.39 66.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.577 0.703 . . . . 0.0 109.105 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.838 -173.61 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.753 0.311 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -64.35 -41.89 96.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.854 0.359 . . . . 0.0 110.538 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.73 97.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.13 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -64.67 -36.87 85.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.53 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -65.01 -41.47 95.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.246 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 t -62.82 -50.99 68.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.223 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.502 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 59.2 m-85 -66.28 -24.82 66.63 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.397 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 15' ' ' VAL . 31.4 tt0 -75.05 -56.77 4.4 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.25 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -73.17 -22.31 60.52 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -170.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 p -58.84 -52.95 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.287 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -79.32 -28.16 42.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.131 -0.227 . . . . 0.0 111.358 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 11' ' ' GLU . 76.7 t -64.15 -34.71 70.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 120.702 0.287 . . . . 0.0 110.643 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 86.6 m-20 -76.63 -74.84 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.86 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 41.3 tptt 175.2 86.28 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.493 0.496 . . . . 0.0 110.098 170.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 m -147.27 144.83 20.2 Favored Pre-proline 0 C--O 1.235 0.339 0 CA-C-N 118.346 0.521 . . . . 0.0 109.784 173.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.46 155.12 71.67 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.876 2.384 . . . . 0.0 111.351 169.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -53.52 -43.53 68.4 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 117.795 0.27 . . . . 0.0 111.228 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -56.89 -38.09 72.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.246 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -68.58 -39.28 81.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.297 . . . . 0.0 110.654 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.6 t -63.69 -41.3 98.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -61.01 -32.2 71.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.96 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -72.35 -34.13 67.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.504 -175.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 56.8 mtm -91.55 -52.39 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.63 -0.428 . . . . 0.0 112.123 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.6 m -78.85 -31.5 45.69 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -168.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.539 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 23.0 m -67.14 -50.31 41.35 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.305 -0.558 . . . . 0.0 112.325 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 72.9 Cg_exo -56.99 -28.31 77.68 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 121.768 1.645 . . . . 0.0 112.523 173.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.79 -60.47 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.858 -176.27 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.819 0.342 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -70.17 -34.94 73.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.885 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.98 99.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.173 175.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -64.12 -37.14 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.014 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -66.8 -39.13 87.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.022 176.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.4 t -64.36 -54.19 36.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.425 -179.098 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.468 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.7 m-85 -65.69 -30.15 70.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 -179.142 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -69.25 -60.95 2.01 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.147 0.498 . . . . 0.0 110.169 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -76.89 -20.19 56.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 -171.6 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 31.3 p -54.81 -58.9 5.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 118.07 0.396 . . . . 0.0 111.137 -175.543 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.402 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 17.9 p-10 -72.42 -28.06 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.393 179.245 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.56 -44.27 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 79.8 m-20 -63.26 -73.22 0.12 Allowed 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.256 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.2 tttt 175.25 85.4 0.0 OUTLIER 'General case' 0 C--O 1.231 0.128 0 O-C-N 123.672 0.607 . . . . 0.0 110.233 165.508 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -146.57 142.53 17.45 Favored Pre-proline 0 C--O 1.236 0.376 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 21.2 Cg_exo -66.58 154.87 72.82 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.798 2.332 . . . . 0.0 111.308 169.363 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -54.44 -43.08 71.3 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.271 0.487 . . . . 0.0 111.707 -174.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.533 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 7.3 p-10 -59.58 -39.05 82.88 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.671 0.272 . . . . 0.0 110.689 -178.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -65.98 -38.39 88.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.926 0.393 . . . . 0.0 110.334 175.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 23.9 t -63.23 -42.11 99.19 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.723 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.4 -28.21 69.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.509 177.406 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 78.1 mt-30 -69.6 -40.82 76.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.907 0.384 . . . . 0.0 110.345 -178.481 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.9 ttp -90.74 -51.23 5.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.197 -175.417 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.6 m -77.6 -30.1 52.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -169.435 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.467 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 66.6 m -63.28 -48.7 82.3 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.914 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 72.3 Cg_exo -55.18 -36.27 92.84 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.923 1.749 . . . . 0.0 112.687 172.829 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.479 ' O ' HD23 ' A' ' 30' ' ' LEU . 4.0 tt -63.4 -45.48 90.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.602 0.715 . . . . 0.0 109.43 176.745 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--N 1.317 -0.837 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.993 -173.438 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.466 0.174 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -67.71 -31.71 71.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.145 0.498 . . . . 0.0 110.164 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.99 82.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.246 175.031 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -64.64 -35.58 81.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.959 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -62.66 -41.52 99.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.018 0.437 . . . . 0.0 110.141 176.149 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 t -62.59 -50.47 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.129 179.665 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -68.27 -32.09 72.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.505 -179.725 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 15' ' ' VAL . 34.3 tt0 -68.96 -52.84 24.79 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.277 178.111 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -75.23 -21.96 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -172.067 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.452 ' O ' HG13 ' A' ' 18' ' ' VAL . 26.1 p -58.17 -56.76 17.89 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.761 -174.52 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.403 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 21.1 p30 -75.17 -27.21 59.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.21 -0.307 . . . . 0.0 111.784 178.542 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 11' ' ' GLU . 52.5 t -61.39 -41.52 90.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 177.238 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 80.3 m-20 -73.28 -75.56 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.984 178.589 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.7 tttt 174.61 85.69 0.0 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.554 0.534 . . . . 0.0 110.014 174.397 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER -150.35 143.22 16.3 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-N 118.367 0.531 . . . . 0.0 109.758 174.501 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.31 155.15 70.31 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 123.06 2.507 . . . . 0.0 111.788 170.748 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -51.48 -43.85 62.28 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 117.61 0.186 . . . . 0.0 111.428 -178.249 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -58.87 -39.81 82.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.826 -0.17 . . . . 0.0 111.222 -178.679 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.536 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 51.5 tt0 -70.52 -36.86 73.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.689 0.28 . . . . 0.0 110.512 176.698 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 t -61.61 -45.1 95.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.439 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.12 -40.19 95.66 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.735 178.012 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 11.2 pt20 -69.01 -28.08 66.27 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.93 0.395 . . . . 0.0 110.749 -173.615 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.4 ttp -91.1 -50.3 5.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.8 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.94 -26.55 31.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -171.142 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.46 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 25.2 t -63.35 -49.02 81.15 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.902 -179.015 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 83.1 Cg_exo -52.87 -27.68 35.93 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 121.991 1.794 . . . . 0.0 112.904 175.064 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -75.65 -62.56 1.54 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 176.467 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.27 -174.415 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 CA--C 1.521 -0.151 0 CA-C-O 120.593 0.235 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -65.33 -30.06 70.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.041 0.448 . . . . 0.0 110.542 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.97 87.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.183 175.691 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -64.09 -37.69 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.758 177.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.61 -43.12 99.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.294 177.279 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.82 -50.06 75.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.932 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.735 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.2 m-85 -68.07 -38.76 82.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.933 -178.842 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 15' ' ' VAL . 29.5 tt0 -69.31 -39.46 78.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.848 -175.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -74.62 -19.57 60.25 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.289 -0.257 . . . . 0.0 111.347 -178.837 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.598 ' HB3' HG22 ' A' ' 18' ' ' VAL . 34.8 m -54.35 -53.79 49.18 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.186 0.304 . . . . 0.0 111.699 179.339 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -78.98 -27.77 43.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.679 0.276 . . . . 0.0 110.877 -178.542 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.4 t -62.61 -36.36 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.197 175.735 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.591 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 74.5 m-20 -81.33 -79.13 0.17 Allowed 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 119.866 -0.733 . . . . 0.0 109.533 176.284 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 67.9 tttt 170.87 85.86 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.653 0.595 . . . . 0.0 109.892 168.649 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -148.8 147.22 23.79 Favored Pre-proline 0 N--CA 1.471 0.59 0 CA-C-N 119.078 0.854 . . . . 0.0 109.976 176.161 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.491 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.0 Cg_exo -64.38 144.19 84.96 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.896 2.398 . . . . 0.0 110.986 171.822 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -59.71 -37.61 79.34 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.46 -175.225 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.53 -37.09 85.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.252 . . . . 0.0 110.897 178.658 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.496 ' O ' ' HB3' ' A' ' 25' ' ' GLN . 45.4 tt0 -66.78 -34.77 78.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.38 . . . . 0.0 110.025 173.376 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.735 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 18.6 t -63.92 -42.38 97.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.316 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -57.9 -36.06 71.9 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.589 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.496 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 41.1 tt0 -63.63 -43.86 95.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.008 0.432 . . . . 0.0 110.739 -178.825 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 44.1 ttp -84.69 -42.96 14.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.305 -174.193 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 60.2 m -84.26 -13.35 52.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -173.417 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.69 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.4 p -62.47 -49.98 81.0 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -178.273 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.69 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 54.7 Cg_exo -56.07 -30.98 81.05 Favored 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 121.892 1.728 . . . . 0.0 112.652 178.727 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.37 -60.14 3.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.158 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.779 -174.448 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.618 0.247 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -65.35 -39.68 92.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.109 0.48 . . . . 0.0 110.418 178.272 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.43 98.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.588 177.885 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.7 -36.78 85.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.091 -179.521 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -65.88 -41.93 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.308 177.086 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.5 t -60.02 -50.01 75.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.266 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -65.32 -39.28 92.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.551 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -63.8 -44.6 92.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 0.0 110.795 -178.347 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -72.48 -19.01 61.62 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.345 -176.637 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.1 m -55.67 -57.09 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.25 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.583 -178.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.01 -37.41 79.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.565 178.557 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.491 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.6 m120 -87.66 -77.55 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.594 -179.849 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 54.9 tttm 173.12 85.71 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.527 0.517 . . . . 0.0 110.214 171.921 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -162.38 124.85 1.71 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 121.615 -0.678 . . . . 0.0 111.107 175.423 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.25 148.83 68.07 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.332 2.688 . . . . 0.0 112.877 178.83 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -53.75 -46.76 70.99 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.067 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -64.45 -41.32 96.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.553 0.216 . . . . 0.0 111.044 -175.869 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.5 -34.96 75.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 109.919 176.102 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 t -59.33 -41.74 89.84 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.92 174.272 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -55.39 -35.71 65.6 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.3 176.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -71.62 -26.24 62.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.957 -175.301 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 49.9 ttp -90.81 -48.57 6.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.28 178.063 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.7 m -78.15 -25.6 47.36 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -173.762 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.509 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 13.8 t -61.17 -49.07 89.96 Favored Pre-proline 0 CA--C 1.539 0.533 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.604 -179.49 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 81.0 Cg_exo -52.49 -32.43 52.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.279 1.986 . . . . 0.0 113.232 174.574 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 30' ' ' LEU . 3.4 tt -67.34 -48.47 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 176.248 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 . . . . . 0 C--N 1.318 -0.763 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.337 -173.882 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.736 0.303 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -64.34 -37.2 86.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.236 0.541 . . . . 0.0 110.163 177.295 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.67 95.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.312 177.55 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -67.45 -35.65 79.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.269 -178.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.575 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 78.3 t80 -65.7 -41.71 92.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.438 . . . . 0.0 110.198 175.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.47 -47.57 85.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.988 177.661 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.567 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 40.4 m-85 -70.94 -20.97 62.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.133 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 5.9 pt-20 -82.99 -45.83 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.656 179.744 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.46 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 21.9 mm-40 -80.03 -25.89 40.02 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -174.666 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.8 p -56.1 -49.92 72.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.639 0.257 . . . . 0.0 111.202 -175.019 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -72.51 -29.33 63.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.556 0.217 . . . . 0.0 111.386 178.308 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 11' ' ' GLU . 71.6 t -68.59 -36.99 77.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.391 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -73.32 -77.48 0.1 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.705 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.46 85.02 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.602 0.564 . . . . 0.0 110.502 171.356 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -150.35 148.34 23.97 Favored Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 121.179 -0.951 . . . . 0.0 110.166 176.644 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 18' ' ' VAL . 49.0 Cg_endo -73.57 153.75 49.55 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.724 2.283 . . . . 0.0 111.412 171.016 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.84 -42.68 68.75 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 117.981 0.355 . . . . 0.0 111.375 -176.071 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -58.59 -41.8 86.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.075 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.23 -37.34 83.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.248 176.021 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 22.7 t -61.04 -43.47 98.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.564 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -62.22 -37.09 84.05 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.265 177.045 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -66.33 -40.75 90.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -176.365 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.8 ttp -81.57 -40.68 22.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.746 -176.451 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.2 m -84.15 -16.99 41.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.071 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.709 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.1 p -63.0 -51.89 67.41 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -177.549 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.709 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -59.64 -20.92 60.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 C-N-CA 121.876 1.717 . . . . 0.0 112.595 178.168 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 tt -73.5 -55.78 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.064 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.118 -177.338 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.458 0.171 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -70.16 -35.83 74.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.106 0.479 . . . . 0.0 110.193 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.81 83.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.251 177.188 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -64.46 -35.15 80.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.113 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.92 -40.25 91.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.285 176.585 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.9 t -61.38 -48.82 79.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.343 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -69.85 -23.08 63.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.413 179.484 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.2 tp10 -73.16 -62.91 1.3 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.11 0.481 . . . . 0.0 110.303 179.09 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -74.28 -18.65 60.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.472 -170.796 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 22.7 p -56.66 -57.37 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.47 0.176 . . . . 0.0 110.83 -175.731 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.417 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 3.3 p-10 -76.29 -28.56 57.06 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 121.106 -0.237 . . . . 0.0 111.194 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 11' ' ' GLU . 77.3 t -61.74 -42.93 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.469 178.866 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 83.2 m-20 -71.83 -74.4 0.16 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.014 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.574 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 177.37 83.91 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 O-C-N 123.639 0.587 . . . . 0.0 111.188 166.738 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.22 143.11 16.24 Favored Pre-proline 0 N--CA 1.464 0.255 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 171.151 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.62 152.77 80.59 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.805 2.336 . . . . 0.0 111.54 172.925 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -58.84 -38.63 79.14 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -178.086 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -61.76 -31.24 71.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.998 0.428 . . . . 0.0 110.242 178.02 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -75.17 -38.13 60.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.99 175.109 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 61.1 m -55.29 -42.77 74.05 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.389 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -58.97 -40.71 85.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.812 -179.532 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -73.47 -26.3 60.86 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.535 -173.335 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.1 ttp -91.63 -48.88 6.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.81 0.338 . . . . 0.0 111.546 177.638 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.9 m -83.43 -31.94 26.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -170.408 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.514 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 74.8 m -64.07 -51.94 59.28 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.03 -179.072 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.514 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 80.2 Cg_exo -52.63 -43.39 55.64 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.0 1.8 . . . . 0.0 112.106 172.94 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -51.46 -55.68 17.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.455 175.624 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.664 -173.76 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.778 0.323 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -68.98 -44.53 72.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.403 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.53 -43.82 96.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.446 177.769 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -66.91 -33.33 75.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.12 -177.905 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -69.15 -42.54 75.8 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.274 177.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.5 t -61.64 -47.19 86.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.253 178.828 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.592 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.8 m-85 -71.42 -18.91 62.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.628 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 15' ' ' VAL . 27.9 tp10 -74.54 -64.07 1.11 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.334 0.587 . . . . 0.0 110.331 177.793 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.404 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 20.6 mm-40 -70.97 -18.46 62.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.226 -169.362 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 31.6 p -61.58 -57.03 13.68 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.762 -176.693 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.407 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.1 p-10 -73.31 -28.66 62.21 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.452 -0.155 . . . . 0.0 111.352 178.356 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 11' ' ' GLU . 64.7 t -62.31 -36.08 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.482 178.141 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.445 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 80.2 m-20 -76.92 -76.62 0.16 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.392 176.224 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.586 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.99 86.38 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.669 0.605 . . . . 0.0 110.456 167.073 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -142.91 142.32 21.93 Favored Pre-proline 0 C--O 1.237 0.406 0 O-C-N 121.074 -1.016 . . . . 0.0 109.951 174.127 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -62.08 153.27 70.33 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.933 2.422 . . . . 0.0 111.519 171.623 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -55.72 -43.25 76.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.806 0.276 . . . . 0.0 111.457 -175.76 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.72 -38.66 85.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.5 0.191 . . . . 0.0 110.973 -178.751 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.584 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 45.2 tt0 -68.04 -37.86 81.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 110.082 176.366 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.592 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 31.1 t -62.08 -43.08 99.61 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.82 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -62.8 -40.96 98.97 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.394 176.875 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 5.0 pt20 -69.62 -28.53 66.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.637 0.256 . . . . 0.0 111.012 -172.317 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.468 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 31.5 ttp -86.86 -43.65 12.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.653 0.263 . . . . 0.0 111.327 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.0 m -83.42 -8.4 59.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -176.7 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.71 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 14.6 p -62.19 -49.78 83.01 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.71 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.3 Cg_exo -59.68 -11.49 14.64 Favored 'Trans proline' 0 C--N 1.361 1.209 0 C-N-CA 122.118 1.878 . . . . 0.0 112.801 178.345 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -90.44 -63.49 1.27 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.159 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.165 -171.527 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.635 0.255 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -68.17 -31.26 70.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.962 0.411 . . . . 0.0 110.588 -176.601 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -39.96 81.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.128 176.101 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -63.06 -35.59 80.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.014 178.349 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -61.72 -43.98 97.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.523 177.274 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.4 t -61.98 -46.24 90.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.044 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.548 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 46.8 m-85 -68.88 -36.61 78.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.837 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.539 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.3 tt0 -72.57 -39.86 67.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.68 -178.111 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -64.39 -23.3 67.24 Favored 'General case' 0 CA--C 1.521 -0.137 0 O-C-N 122.265 -0.272 . . . . 0.0 110.551 177.341 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.539 ' HB3' HG22 ' A' ' 18' ' ' VAL . 53.4 m -59.55 -49.91 75.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.243 178.348 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.22 -28.6 38.56 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.98 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 11' ' ' GLU . 68.8 t -62.15 -51.12 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.62 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.545 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 79.1 m-20 -75.82 -78.91 0.11 Allowed 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.065 -177.645 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 55.0 tttm 171.55 86.61 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.97 0.508 . . . . 0.0 110.649 167.755 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.539 HG22 ' HB3' ' A' ' 13' ' ' CYS . 1.5 m -145.0 140.53 16.27 Favored Pre-proline 0 C--O 1.236 0.353 0 O-C-N 121.521 -0.737 . . . . 0.0 110.053 174.084 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 18' ' ' VAL . 29.3 Cg_exo -61.53 144.52 97.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.953 2.435 . . . . 0.0 111.033 173.49 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -60.91 -37.25 81.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.709 -175.671 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.74 -37.12 85.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.907 0.384 . . . . 0.0 110.318 178.513 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -70.37 -37.71 74.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.201 174.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.9 t -63.44 -38.9 92.93 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.088 0.47 . . . . 0.0 110.015 178.483 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -62.28 -24.43 67.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.858 176.146 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -79.9 -31.7 40.25 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.74 -179.662 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 45.0 ttp -90.29 -49.12 6.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.039 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.1 m -87.37 -11.75 48.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -170.753 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.649 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 77.2 p -65.16 -45.56 72.2 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.769 -178.29 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.649 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.6 Cg_exo -60.05 -15.73 35.29 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 121.882 1.722 . . . . 0.0 112.966 177.551 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' O ' HD23 ' A' ' 30' ' ' LEU . 4.1 tt -74.49 -49.77 20.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.921 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.922 -175.175 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.333 0.111 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -63.52 -26.83 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.15 0.5 . . . . 0.0 110.167 -179.685 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.36 91.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.41 176.322 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -64.98 -32.21 73.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.059 178.721 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -69.25 -41.56 76.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.119 177.463 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -62.37 -49.74 74.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.253 178.391 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.0 m-85 -68.52 -18.93 64.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.738 -178.808 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.2 tp10 -83.32 -62.22 1.64 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.296 176.435 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.442 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 23.4 mm-40 -66.06 -20.22 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.343 -172.692 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 26.0 p -57.46 -53.39 58.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.842 0.354 . . . . 0.0 110.233 178.795 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.413 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 15.1 m120 -74.05 -31.62 62.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.912 178.807 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 11' ' ' GLU . 87.1 t -63.69 -38.16 81.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.164 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.48 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 78.8 m-20 -72.88 -76.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.883 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 87.8 tttt 174.09 85.94 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.114 0 O-C-N 123.398 0.436 . . . . 0.0 110.092 171.465 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 13' ' ' CYS . 2.0 m -145.93 142.29 17.65 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 121.718 -0.614 . . . . 0.0 110.216 175.699 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -67.13 155.86 68.85 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.029 2.486 . . . . 0.0 111.633 169.277 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -49.46 -45.99 47.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.968 0.349 . . . . 0.0 111.659 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.14 -36.18 72.6 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.885 0.374 . . . . 0.0 110.71 -178.256 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -71.22 -41.6 69.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.263 176.731 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.9 t -61.0 -45.7 93.76 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.564 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -62.32 -43.97 97.58 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.454 177.407 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -23.26 63.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.951 -170.586 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.5 ttp -90.33 -46.92 8.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.521 177.065 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 37.8 m -83.57 -21.79 32.54 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -172.72 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.637 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 63.2 p -62.64 -43.85 84.95 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.541 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 62.0 Cg_exo -57.96 -23.94 62.58 Favored 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 121.869 1.713 . . . . 0.0 112.678 174.151 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tt -81.31 -59.98 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.77 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.856 -174.498 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -59.86 -40.21 87.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.992 0.425 . . . . 0.0 110.729 178.851 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.444 ' O ' ' HD2' ' A' ' 10' ' ' TYR . . . -66.38 -41.5 89.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.573 178.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -63.46 -34.47 77.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.213 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -65.68 -43.08 90.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.148 177.241 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.81 -52.45 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.157 176.07 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.583 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 40.1 m-85 -61.15 -27.05 68.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.516 -179.203 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -68.27 -58.86 3.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.098 0.475 . . . . 0.0 110.513 175.825 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.76 -23.49 39.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -171.941 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 30.4 p -58.1 -54.84 42.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.012 0.369 . . . . 0.0 111.444 -174.229 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.07 -28.24 67.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.785 0.326 . . . . 0.0 111.006 178.133 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.73 -41.64 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.758 179.029 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 75.2 m-20 -70.89 -75.01 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.17 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.548 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 177.61 84.28 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.494 171.363 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -151.38 140.62 13.82 Favored Pre-proline 0 C--O 1.235 0.327 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 171.661 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.471 ' HD2' ' OE1' ' A' ' 22' ' ' GLN . 23.5 Cg_exo -64.34 150.89 87.44 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.759 2.306 . . . . 0.0 111.485 171.073 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -55.34 -43.76 75.27 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 121.278 -0.169 . . . . 0.0 111.347 -177.462 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.06 -31.41 72.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.756 0.312 . . . . 0.0 110.773 -178.363 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.471 ' OE1' ' HD2' ' A' ' 19' ' ' PRO . 45.2 tt0 -73.0 -38.89 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.139 175.421 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.583 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.6 t -63.29 -41.18 98.95 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.608 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 11.0 t80 -63.29 -36.16 82.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.085 175.777 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -68.69 -35.72 77.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.816 -173.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.4 ttp -89.84 -50.29 6.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.265 -175.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.03 4.49 39.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -168.876 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.539 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 22.8 t -68.1 -49.3 35.58 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 119.516 -0.873 . . . . 0.0 110.438 168.254 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 51.7 Cg_exo -59.35 -22.41 65.4 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.15 1.9 . . . . 0.0 112.929 174.731 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 30' ' ' LEU . 5.6 tt -60.55 -46.88 88.56 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.305 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.322 -179.37 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 . . . . . 0 C--O 1.235 0.293 0 CA-C-O 120.517 0.199 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -68.66 -34.0 74.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.862 0.363 . . . . 0.0 110.708 178.879 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.1 96.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.461 176.078 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -63.93 -35.64 81.33 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.435 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 79.0 t80 -64.48 -43.07 95.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.181 176.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t -56.21 -49.77 73.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.748 179.056 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.563 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 71.3 m-85 -70.69 -35.51 72.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.549 -179.27 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 15' ' ' VAL . 46.0 tt0 -64.86 -42.35 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.08 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 32.4 mm-40 -70.87 -20.09 62.56 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.971 -177.355 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.2 m -60.2 -56.34 22.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.958 177.536 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -71.66 -28.02 63.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.771 -178.252 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 11' ' ' GLU . 48.0 t -58.66 -40.03 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.725 176.399 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 42.0 m-80 -86.38 -76.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.401 177.751 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.8 tttt 175.28 85.86 0.0 OUTLIER 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.533 0.52 . . . . 0.0 110.155 171.226 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -161.06 127.34 2.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.196 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.28 154.06 60.93 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.307 2.671 . . . . 0.0 112.845 176.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -54.94 -46.61 75.0 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.567 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.4 -40.09 93.1 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.916 0.389 . . . . 0.0 110.666 -177.8 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -70.12 -33.49 71.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.326 176.628 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.7 t -64.81 -38.73 91.97 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.652 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -59.33 -34.43 72.33 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.247 174.942 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.88 -41.4 95.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.863 0.363 . . . . 0.0 110.256 -178.313 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.435 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 44.5 ttp -88.55 -38.22 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.133 -177.834 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.5 t -89.59 -1.07 57.92 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -174.014 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.566 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.2 p -56.13 -41.32 90.43 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.007 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.566 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 78.7 Cg_exo -55.0 -21.91 28.73 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 122.239 1.959 . . . . 0.0 113.468 174.033 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tt -90.5 -70.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.409 . . . . 0.0 109.977 -178.754 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.002 -173.534 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.69 0.281 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.32 -36.93 82.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.731 -178.576 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.67 99.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.447 177.107 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -68.51 -26.58 65.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.288 0.566 . . . . 0.0 110.114 -179.216 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.435 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 85.1 t80 -73.82 -43.5 58.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.513 175.675 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.44 -47.48 85.91 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.507 -179.335 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -70.08 -21.92 63.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.807 -178.885 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.5 tt0 -77.83 -58.58 3.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.156 0.503 . . . . 0.0 110.014 176.204 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.452 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 84.5 mm-40 -70.52 -18.35 62.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.285 -171.745 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.405 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.0 p -60.82 -54.42 45.37 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.498 -177.708 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -75.45 -29.07 59.55 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.26 178.344 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 11' ' ' GLU . 69.8 t -66.65 -34.86 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.318 . . . . 0.0 110.403 178.687 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.489 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 25.1 t-20 -75.02 -74.99 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.007 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 40.0 mttt 174.18 84.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.843 0.857 . . . . 0.0 110.1 170.45 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -149.87 144.15 17.4 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 118.543 0.611 . . . . 0.0 109.677 174.707 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.5 Cg_exo -66.66 154.39 74.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.703 2.269 . . . . 0.0 111.31 170.508 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -54.97 -42.8 72.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 118.165 0.439 . . . . 0.0 111.404 -176.746 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.4 p-10 -57.41 -44.4 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.965 179.547 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -65.53 -36.3 83.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.756 0.312 . . . . 0.0 110.583 176.255 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.44 -43.08 93.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.947 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -64.68 -37.79 88.79 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 175.464 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 95.4 mt-30 -63.88 -41.61 97.71 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.049 0.452 . . . . 0.0 110.281 -176.116 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 49.8 ttp -83.14 -43.53 16.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.943 -174.743 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.9 m -84.5 -16.07 43.72 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -173.49 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.637 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.9 p -61.49 -46.97 94.41 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -177.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 59.0 Cg_exo -57.27 -18.58 30.92 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 122.065 1.843 . . . . 0.0 113.385 178.645 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -80.21 -60.48 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.619 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.412 -175.435 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 . . . . . 0 CA--C 1.521 -0.137 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -65.32 -34.16 77.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.021 0.439 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.29 68.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.383 177.131 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 26.7 tptp -64.99 -36.36 84.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.088 -179.463 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -63.18 -41.22 99.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.27 176.602 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.92 -49.53 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.605 -178.803 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -67.98 -28.29 67.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.661 0.267 . . . . 0.0 111.368 -179.67 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -74.96 -56.41 4.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.898 0.38 . . . . 0.0 110.48 178.445 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.444 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 20.5 mm-40 -72.62 -19.0 61.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -173.086 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 19.5 p -57.76 -54.3 48.41 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.466 -176.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.419 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.3 p-10 -75.68 -29.23 58.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 178.131 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 11' ' ' GLU . 72.0 t -64.06 -41.42 92.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.637 0.256 . . . . 0.0 110.47 178.757 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 84.4 m-20 -71.06 -74.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.172 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 64.9 tttp 173.11 85.95 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.197 0.599 . . . . 0.0 110.189 167.065 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -147.5 147.1 26.88 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-N 118.711 0.687 . . . . 0.0 109.502 173.456 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.01 153.88 73.46 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.725 2.283 . . . . 0.0 111.258 170.447 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -58.01 -38.87 76.96 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.701 0.228 . . . . 0.0 111.262 -178.313 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.62 -34.57 74.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.352 177.673 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -70.27 -37.89 74.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.108 175.799 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.9 m -56.79 -43.87 81.33 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.868 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' SER . 36.1 t80 -64.93 -34.48 78.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -72.48 -34.56 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.919 0.39 . . . . 0.0 110.962 -176.334 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.4 ttp -91.09 -50.18 5.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.067 -178.681 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.1 m -82.26 -34.24 28.84 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -169.685 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.468 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 51.0 m -63.17 -48.58 83.23 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -176.299 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.468 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 84.5 Cg_exo -52.94 -40.78 74.86 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.95 1.767 . . . . 0.0 112.582 172.564 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.98 -59.5 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.61 0.719 . . . . 0.0 109.093 175.207 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 . . . . . 0 C--N 1.32 -0.7 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.626 -173.052 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 120.818 0.342 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -68.24 -37.5 80.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.444 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.12 97.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 177.218 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -66.72 -34.83 78.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.827 0.346 . . . . 0.0 110.211 -178.541 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -64.43 -40.99 96.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.113 176.893 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.9 t -61.78 -48.2 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.488 179.887 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.654 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 66.7 m-85 -71.14 -27.8 63.82 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.769 -179.026 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.7 OUTLIER -70.84 -57.07 4.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.124 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -77.68 -19.32 55.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -169.866 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.495 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.4 p -60.69 -58.51 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.665 -176.919 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -69.59 -26.87 64.67 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.207 -0.197 . . . . 0.0 111.283 179.238 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 11' ' ' GLU . 57.0 t -63.44 -40.2 88.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 177.561 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.476 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 77.0 m-20 -69.53 -73.72 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.852 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 60.6 tttm 175.44 85.17 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 O-C-N 123.733 0.646 . . . . 0.0 110.136 169.275 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -150.07 140.01 13.65 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 118.468 0.577 . . . . 0.0 109.948 175.073 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.99 154.58 72.37 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.989 2.459 . . . . 0.0 111.697 170.586 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -53.24 -44.19 67.92 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.975 0.352 . . . . 0.0 111.675 -174.693 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -61.09 -35.87 78.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -178.162 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -70.65 -38.77 73.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.869 0.366 . . . . 0.0 110.283 174.1 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.654 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.0 t -60.51 -46.03 91.65 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.336 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -58.53 -37.04 74.82 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.152 176.421 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -63.99 -41.4 97.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.805 0.335 . . . . 0.0 110.762 -175.487 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.497 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 32.6 ttp -83.02 -43.21 16.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.653 -177.82 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.7 m -81.13 -16.89 51.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.218 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.652 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.4 p -57.97 -49.08 95.64 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.788 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.652 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 80.7 Cg_exo -53.73 -28.76 48.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 122.127 1.885 . . . . 0.0 112.988 177.803 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tt -80.3 -57.42 3.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.507 179.371 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.977 -173.14 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.624 0.249 . . . . 0.0 111.463 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -65.38 -34.54 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.948 0.404 . . . . 0.0 110.502 -177.344 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.03 -41.28 64.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.432 176.719 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.68 -36.8 84.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.092 179.347 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -65.88 -41.87 91.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.593 178.02 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -61.25 -45.13 95.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.376 -178.306 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.403 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.1 m-85 -78.02 -25.18 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.273 -177.757 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 15' ' ' VAL . 42.2 tt0 -75.48 -50.86 14.46 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.083 179.667 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -80.93 -20.95 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -170.991 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 p -55.92 -57.07 13.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.646 0.26 . . . . 0.0 111.234 -175.615 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -70.12 -28.73 65.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.191 178.917 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' GLU . 79.3 t -64.48 -39.17 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.526 179.246 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 67.6 m-20 -69.74 -75.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.576 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 177.45 84.23 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.495 169.575 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -149.54 141.12 14.73 Favored Pre-proline 0 C--O 1.235 0.317 0 O-C-N 121.438 -0.789 . . . . 0.0 109.688 175.431 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.98 154.39 73.57 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.765 2.31 . . . . 0.0 111.213 169.239 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -56.17 -43.95 78.85 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 118.37 0.532 . . . . 0.0 111.653 -175.513 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -60.2 -34.43 73.62 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.754 0.311 . . . . 0.0 110.78 -179.657 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -70.28 -38.17 74.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.385 174.837 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 49.3 t -60.72 -45.81 92.81 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 177.132 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -61.02 -37.49 82.75 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.067 176.412 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -64.02 -35.24 80.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 -175.18 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.464 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 24.3 ttp -85.75 -45.35 11.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.785 -179.119 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.9 m -85.03 -6.89 59.31 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -173.965 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.595 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.1 p -60.65 -47.76 95.14 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.192 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.595 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 85.7 Cg_exo -53.48 -28.5 45.03 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.866 1.711 . . . . 0.0 112.257 174.853 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -81.14 -66.55 0.87 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.614 -178.851 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.001 -174.578 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 120.736 0.303 . . . . 0.0 111.328 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -67.71 -32.99 74.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.893 -179.244 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.17 96.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.05 174.854 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.16 -37.05 85.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.316 179.906 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.425 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 81.3 t80 -65.21 -42.57 93.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 176.406 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.2 t -61.78 -51.32 68.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 -178.426 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.547 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 63.4 m-85 -66.72 -25.06 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.438 -178.951 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -75.92 -50.42 15.04 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.959 178.049 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 28.4 mm-40 -80.85 -23.41 39.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.344 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 29.8 p -55.49 -59.61 4.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.379 0.133 . . . . 0.0 111.178 -174.772 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.412 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 23.2 p-10 -69.95 -28.14 65.32 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.448 179.013 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.5 -45.08 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.708 0.29 . . . . 0.0 110.477 177.615 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 85.3 m-20 -67.03 -73.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.837 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.5 tttt 175.76 85.44 0.0 OUTLIER 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.407 0.442 . . . . 0.0 110.457 168.3 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -148.93 141.16 14.93 Favored Pre-proline 0 C--O 1.235 0.305 0 O-C-N 121.843 -0.536 . . . . 0.0 109.571 173.588 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.34 154.85 72.64 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.808 2.338 . . . . 0.0 111.414 169.569 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -52.0 -43.96 63.9 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.007 0.367 . . . . 0.0 111.712 -176.146 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.69 -39.55 88.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.935 -179.216 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.02 -38.7 89.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.195 174.757 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.547 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 33.7 t -60.3 -44.29 95.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.745 178.128 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -60.67 -37.51 81.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 177.283 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -70.94 -28.79 64.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.725 0.298 . . . . 0.0 111.208 -174.331 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 44.4 ttp -90.46 -44.13 9.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.521 179.233 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.4 m -82.84 -25.64 32.44 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -173.686 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.501 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 22.3 t -61.51 -49.7 85.97 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.025 -0.512 . . . . 0.0 112.087 -178.566 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 75.1 Cg_exo -54.58 -24.29 35.96 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.138 1.892 . . . . 0.0 113.059 175.93 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -77.63 -58.28 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.701 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.175 -174.663 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 . . . . . 0 C--O 1.234 0.238 0 CA-C-O 120.719 0.295 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -69.91 -39.09 76.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 -179.01 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.35 90.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.262 176.5 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.3 -31.12 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.81 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -66.95 -42.47 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.26 176.55 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.2 t -60.05 -46.17 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.933 178.391 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.494 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 54.6 m-85 -69.08 -34.34 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.437 179.472 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.7 tp10 -60.91 -52.22 65.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.069 0.462 . . . . 0.0 110.357 177.8 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -61.34 -25.13 66.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -178.324 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.465 ' CA ' HG13 ' A' ' 18' ' ' VAL . 53.4 m -61.59 -51.23 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.36 177.361 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -75.27 -26.93 59.19 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.778 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 11' ' ' GLU . 69.0 t -65.06 -45.49 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.871 175.739 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.406 ' C ' ' HG3' ' A' ' 17' ' ' LYS . 71.8 m-20 -86.56 -77.9 0.3 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.261 -174.866 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HG3' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER 177.45 81.74 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.946 0.403 . . . . 0.0 111.482 176.018 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.465 HG13 ' CA ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -163.66 124.25 1.43 Allowed Pre-proline 0 C--N 1.322 -0.598 0 O-C-N 121.364 -0.835 . . . . 0.0 111.009 175.663 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.28 153.19 54.95 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.499 2.8 . . . . 0.0 112.787 177.909 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -54.79 -44.18 73.52 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 111.776 0.288 . . . . 0.0 111.776 -176.781 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.79 -44.1 97.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.728 0.299 . . . . 0.0 111.665 -177.596 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -74.4 -27.14 60.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.763 0.316 . . . . 0.0 110.487 177.963 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 27.6 t -68.28 -38.79 82.04 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.519 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -55.2 -34.35 63.83 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.923 175.661 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -65.2 -34.89 79.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.946 0.403 . . . . 0.0 110.694 -178.086 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.518 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 35.3 ttp -90.51 -47.53 7.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -177.323 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.3 m -83.57 -14.4 52.21 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.427 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.566 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.2 p -58.15 -44.43 99.25 Favored Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -178.14 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.566 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 92.8 Cg_exo -48.75 -47.63 20.37 Favored 'Trans proline' 0 C--N 1.362 1.248 0 C-N-CA 122.54 2.16 . . . . 0.0 114.088 179.834 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -71.23 -29.71 65.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 0.0 110.29 -178.088 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.494 -177.414 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 . . . . . 0 C--O 1.232 0.153 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -65.23 -35.35 80.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.73 0.3 . . . . 0.0 110.708 -179.011 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.49 98.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.987 175.434 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -64.29 -42.8 96.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.06 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -61.89 -40.82 96.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.489 177.611 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.86 -50.48 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.431 -179.168 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -70.48 -29.89 66.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.546 -179.381 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.4 tt0 -67.47 -52.4 39.71 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.358 177.756 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -80.26 -26.91 38.75 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -171.995 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.468 ' O ' HG13 ' A' ' 18' ' ' VAL . 23.9 p -56.47 -50.47 71.65 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.006 0.431 . . . . 0.0 110.435 -177.642 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.41 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 63.5 t30 -75.91 -27.58 57.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -178.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 11' ' ' GLU . 54.9 t -69.06 -40.4 80.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.52 0.2 . . . . 0.0 110.761 178.851 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 75.0 m-20 -70.41 -75.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.686 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 84.1 tttt 175.25 83.71 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.839 170.798 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.48 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -152.7 143.14 15.42 Favored Pre-proline 0 C--O 1.237 0.425 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 173.777 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.7 Cg_exo -66.58 152.91 79.74 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.891 2.394 . . . . 0.0 111.944 172.824 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' CYS . 69.7 t80 -55.04 -40.83 70.68 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -177.573 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.62 -38.26 84.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.847 0.355 . . . . 0.0 110.677 179.319 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.641 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 35.5 tt0 -74.0 -28.47 61.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.366 176.098 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 20' ' ' PHE . 73.7 m -59.19 -48.67 80.76 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 169.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -57.49 -43.04 83.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.823 -179.237 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 8.1 pt20 -63.82 -30.56 71.63 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.64 0.257 . . . . 0.0 110.94 -174.354 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.8 ttp -90.19 -45.86 8.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.485 -179.665 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -79.93 -18.55 50.21 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.91 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.706 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.6 p -64.26 -49.99 69.96 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-O 118.55 -0.738 . . . . 0.0 112.859 -177.854 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.706 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.4 Cg_exo -62.0 -15.04 40.88 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 122.141 1.894 . . . . 0.0 112.588 176.791 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -81.29 -59.67 2.55 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.462 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.77 -175.771 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -67.25 -31.53 71.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 178.981 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.95 94.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.044 177.443 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.29 -36.23 83.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.191 0.519 . . . . 0.0 109.713 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -67.42 -41.01 85.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.454 176.221 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.26 -50.02 71.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.543 -179.925 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -65.4 -21.27 66.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.826 0.346 . . . . 0.0 111.465 -179.575 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.2 tp10 -78.66 -61.23 2.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.002 0.429 . . . . 0.0 110.115 177.489 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -69.43 -23.68 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.36 -172.947 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 29.2 p -55.76 -54.15 47.93 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.532 -177.745 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.405 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 61.9 t30 -74.33 -28.95 61.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.909 179.35 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' GLU . 76.0 t -66.65 -38.51 81.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.582 0.23 . . . . 0.0 110.469 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -69.21 -75.07 0.12 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 176.648 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.3 pttt 175.45 84.15 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.872 0.732 . . . . 0.0 110.606 166.074 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.3 m -148.75 149.61 31.09 Favored Pre-proline 0 C--O 1.233 0.198 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 172.505 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.429 ' O ' HG23 ' A' ' 18' ' ' VAL . 16.8 Cg_exo -69.23 154.29 70.05 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.892 2.395 . . . . 0.0 111.237 169.101 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -60.14 -37.0 78.77 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.442 0.163 . . . . 0.0 111.294 -178.175 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -59.49 -33.15 70.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.426 177.137 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -73.58 -38.35 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.232 174.861 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.9 m -55.76 -42.01 74.83 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.143 0.497 . . . . 0.0 109.699 173.726 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.29 -23.85 67.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.979 -179.54 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -85.06 -29.96 24.49 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.128 -178.237 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.3 ttp -91.3 -48.76 6.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.808 0.337 . . . . 0.0 111.828 179.258 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 32.6 m -77.06 -36.06 56.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -170.878 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.503 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 48.9 m -60.9 -50.06 86.53 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -177.595 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 74.1 Cg_exo -54.37 -23.35 30.4 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.431 2.088 . . . . 0.0 113.415 176.187 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 10.7 tp -70.31 -53.92 14.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.266 0.555 . . . . 0.0 110.626 176.627 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.317 -0.805 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.614 -174.89 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 . . . . . 0 C--O 1.233 0.193 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -66.6 -26.54 67.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.107 0.48 . . . . 0.0 110.197 179.356 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.5 80.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.302 175.119 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -63.18 -39.8 95.7 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.254 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.04 -43.43 95.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.219 177.945 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.9 -52.58 63.58 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.966 -178.964 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.545 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 83.9 m-85 -74.66 -38.57 62.42 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.465 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -64.29 -36.02 82.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 -175.785 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -80.43 -17.36 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.364 -178.302 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 85.5 m -51.86 -54.59 27.38 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.862 0.363 . . . . 0.0 111.242 -179.53 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -75.64 -26.66 57.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.908 0.385 . . . . 0.0 110.364 -177.291 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.19 -43.94 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.303 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 84.2 m-20 -78.6 -77.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.183 -178.957 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.1 tttt 173.18 84.32 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.198 0.599 . . . . 0.0 109.646 169.668 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 p -163.49 125.23 1.55 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 121.78 -0.575 . . . . 0.0 110.89 175.716 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.94 143.79 90.93 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.953 2.435 . . . . 0.0 111.622 175.723 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -56.3 -37.61 70.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.527 -175.541 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -65.48 -47.45 76.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.662 0.268 . . . . 0.0 111.204 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 38.0 tt0 -69.49 -33.15 72.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.871 0.367 . . . . 0.0 110.529 177.534 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.47 -29.52 64.93 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.162 179.648 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -54.82 -35.0 63.46 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.175 174.469 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 6.7 pt20 -67.25 -25.27 66.0 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.704 0.288 . . . . 0.0 110.431 -176.732 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.0 ttp -90.68 -47.4 7.68 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.5 -179.851 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.6 m -80.12 -10.92 59.79 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -175.811 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.674 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.3 p -59.92 -51.32 81.54 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -177.66 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.674 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.6 Cg_exo -61.17 -12.76 24.63 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.998 1.799 . . . . 0.0 112.66 178.194 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -90.28 -61.44 1.68 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.48 179.213 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.223 -173.05 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.505 0.193 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -64.03 -31.75 73.05 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.132 0.492 . . . . 0.0 110.451 -178.954 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.99 -41.45 67.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.274 175.834 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -62.84 -35.85 81.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.124 178.616 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.641 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 74.3 t80 -65.76 -39.98 91.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.47 176.54 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.4 t -62.62 -46.55 87.76 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.739 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 42.1 m-85 -69.32 -27.42 65.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.036 179.743 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 9.0 pt-20 -77.41 -43.64 31.93 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.581 -179.017 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.411 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 22.6 mm-40 -81.29 -26.41 35.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -176.626 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -56.22 -53.05 61.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.525 0.203 . . . . 0.0 111.407 -173.683 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -71.71 -29.13 64.22 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.397 178.785 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 11' ' ' GLU . 73.1 t -66.71 -39.69 84.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.44 178.817 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 81.3 m-20 -67.83 -76.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.03 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.575 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 175.92 84.09 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 O-C-N 123.715 0.635 . . . . 0.0 110.294 169.728 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -148.79 140.58 14.48 Favored Pre-proline 0 C--O 1.235 0.317 0 O-C-N 121.085 -1.009 . . . . 0.0 110.023 175.352 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 21.2 Cg_exo -66.64 154.86 72.94 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.869 2.38 . . . . 0.0 110.974 169.416 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -53.14 -43.39 66.92 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.197 0.453 . . . . 0.0 111.569 -175.717 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.427 ' OD2' ' HB2' ' A' ' 19' ' ' PRO . 5.6 p-10 -57.91 -40.0 79.3 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.356 -179.258 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -66.61 -39.94 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.438 177.272 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 28.9 t -62.93 -40.4 97.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.205 0.526 . . . . 0.0 109.684 178.154 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -64.03 -31.54 72.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.76 179.084 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -78.31 -27.34 47.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.918 0.39 . . . . 0.0 111.169 -175.481 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 40.4 ttp -90.59 -49.55 6.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.747 0.308 . . . . 0.0 111.608 178.78 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.4 m -86.17 -25.3 25.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -170.353 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.517 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 31.2 t -67.9 -51.21 29.59 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.504 -179.693 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 62.8 Cg_exo -57.65 -16.86 26.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 121.972 1.782 . . . . 0.0 112.863 175.753 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.34 -56.43 6.73 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.756 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.778 -176.762 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 . . . . . 0 CA--C 1.52 -0.183 0 CA-C-O 120.814 0.34 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -67.0 -33.34 75.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.092 0.473 . . . . 0.0 110.236 179.465 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.14 95.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.766 176.521 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -65.55 -34.03 77.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.962 179.659 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -67.09 -43.06 83.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.171 175.846 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -59.76 -51.79 68.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 -179.1 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.536 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 53.5 m-85 -70.0 -24.65 63.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.865 -178.036 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 15' ' ' VAL . 34.9 tt0 -78.39 -49.51 13.4 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.004 179.817 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -81.46 -23.14 37.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -172.763 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.434 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.7 p -56.05 -53.03 61.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.645 0.26 . . . . 0.0 111.154 -175.668 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -72.62 -28.82 63.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.553 0.216 . . . . 0.0 111.107 178.898 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 11' ' ' GLU . 72.3 t -65.8 -41.57 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.452 178.325 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -65.71 -75.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.485 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tttp 173.67 85.53 0.0 OUTLIER 'General case' 0 C--O 1.23 0.041 0 O-C-N 123.827 0.705 . . . . 0.0 110.082 165.912 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER -145.75 143.28 19.33 Favored Pre-proline 0 C--O 1.236 0.367 0 CA-C-N 118.424 0.556 . . . . 0.0 109.605 174.118 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.38 153.12 79.67 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.837 2.358 . . . . 0.0 111.468 171.119 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -55.7 -44.01 76.99 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.093 0.406 . . . . 0.0 111.188 -176.975 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -59.44 -35.64 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.902 -179.542 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -71.78 -39.71 69.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.363 175.367 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.536 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 34.7 t -59.52 -42.19 91.7 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.733 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -58.68 -36.52 74.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.628 177.802 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -74.04 -31.61 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -173.562 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 ttp -82.58 -45.39 14.66 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.179 179.57 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 24.0 m -81.65 -17.78 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -172.873 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.679 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.4 p -61.09 -50.39 84.59 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.31 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.679 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -60.22 -16.68 41.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.133 1.888 . . . . 0.0 112.915 177.989 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 tp -85.96 -55.63 3.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.665 178.773 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.628 -175.716 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.681 0.277 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -66.13 -45.83 79.67 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.383 179.722 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.77 89.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.325 177.92 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -64.12 -40.59 96.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.794 179.412 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -67.81 -40.68 83.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 110.374 179.432 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.8 t -58.77 -56.2 25.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.541 -178.381 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -70.57 -24.53 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 111.297 -177.725 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 15' ' ' VAL . 13.6 tp10 -65.66 -62.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.114 0.483 . . . . 0.0 110.074 176.642 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -74.68 -24.99 58.87 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -170.972 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -56.98 -58.02 9.99 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.107 -174.123 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -71.89 -28.22 63.36 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.455 178.829 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 11' ' ' GLU . 79.4 t -65.65 -37.82 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.394 0.14 . . . . 0.0 110.663 177.963 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -64.66 -74.27 0.11 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.332 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 19.4 pttp 175.46 84.49 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.913 0.758 . . . . 0.0 110.133 165.393 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.3 m -148.27 145.16 19.83 Favored Pre-proline 0 C--O 1.235 0.339 0 O-C-N 121.794 -0.566 . . . . 0.0 109.626 176.07 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.7 Cg_exo -66.73 154.28 75.02 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.754 2.302 . . . . 0.0 110.946 168.668 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -57.08 -40.05 76.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.012 0.369 . . . . 0.0 111.171 -177.076 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.4 p30 -57.41 -45.68 84.33 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.525 178.291 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -60.31 -40.36 90.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.977 0.418 . . . . 0.0 110.512 175.992 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.0 t -62.26 -45.7 92.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.781 178.963 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -63.86 -35.29 80.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.951 178.818 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 88.8 mt-30 -64.38 -40.27 95.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.806 0.336 . . . . 0.0 110.647 -175.588 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 59.9 mtm -88.21 -33.67 18.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.501 -179.704 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 t -87.29 -13.22 44.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -173.132 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.579 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 4.0 p -58.4 -47.83 98.08 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.992 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.579 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 71.6 Cg_exo -54.89 -18.25 16.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.923 1.749 . . . . 0.0 113.223 176.176 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -90.49 -65.02 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.42 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.995 -172.531 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.948 0.404 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -67.68 -31.23 71.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.81 -179.304 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.51 96.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 175.551 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -64.6 -39.55 93.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.989 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -65.47 -40.37 93.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.315 177.004 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.8 t -61.2 -51.78 67.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.309 -179.051 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.521 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 52.4 m-85 -69.68 -24.43 63.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.887 -178.196 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 11.9 tp10 -76.68 -59.14 2.9 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.946 0.403 . . . . 0.0 110.337 -179.553 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -76.52 -18.69 58.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -171.58 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.466 ' O ' HG13 ' A' ' 18' ' ' VAL . 32.1 p -57.82 -57.99 10.34 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.664 0.269 . . . . 0.0 110.611 -177.353 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.416 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 16.0 p30 -76.37 -27.07 56.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.476 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' GLU . 79.5 t -66.12 -40.07 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.864 0.364 . . . . 0.0 110.054 177.308 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.475 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 50.2 t-20 -71.5 -73.48 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.708 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 66.9 tttp 175.43 86.04 0.0 OUTLIER 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.662 0.601 . . . . 0.0 110.528 171.052 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.1 m -149.81 144.6 17.88 Favored Pre-proline 0 C--O 1.235 0.304 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 172.266 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 18' ' ' VAL . 21.8 Cg_exo -64.71 152.26 82.65 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.344 2.029 . . . . 0.0 111.175 170.65 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -54.55 -41.65 70.02 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 117.678 0.217 . . . . 0.0 110.864 -178.632 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -61.18 -38.51 86.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.798 -179.826 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -66.89 -39.92 87.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.89 0.376 . . . . 0.0 110.217 176.752 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.521 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 17.2 t -61.87 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.072 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -66.58 -28.32 68.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.483 177.133 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -73.27 -36.48 66.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 -176.976 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.2 mtm -92.23 -50.3 5.74 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 179.864 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.9 m -77.64 -26.58 50.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -170.893 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.483 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 10.3 t -68.19 -48.11 37.77 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.78 -178.113 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 58.5 Cg_exo -58.89 -11.07 11.14 Favored 'Trans proline' 0 C--N 1.362 1.244 0 C-N-CA 122.374 2.049 . . . . 0.0 113.06 172.972 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -87.79 -56.53 3.3 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.08 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.595 -173.716 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 120.421 0.153 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -66.63 -34.45 77.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.264 0.554 . . . . 0.0 110.134 -179.362 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.56 -43.03 64.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.284 176.857 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.5 -37.4 87.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.128 179.29 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -64.24 -39.94 95.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.13 177.281 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.3 t -64.07 -51.48 63.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.228 -179.583 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.507 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 57.2 m-85 -67.9 -23.33 65.09 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.708 0.289 . . . . 0.0 111.571 -179.149 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 15' ' ' VAL . 9.7 tp10 -75.94 -62.53 1.57 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.197 0.522 . . . . 0.0 110.222 178.14 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.411 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 21.6 mm-40 -73.8 -19.14 60.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.514 -170.626 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 30.4 p -56.28 -59.24 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.742 -177.148 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.406 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 20.9 p30 -74.72 -27.1 60.23 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.416 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.2 t -65.56 -40.46 88.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.521 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 91.2 m-20 -67.1 -74.19 0.12 Allowed 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 176.673 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 15.2 mttp 174.63 86.53 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 O-C-N 124.002 0.814 . . . . 0.0 110.59 166.091 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -144.87 144.81 25.41 Favored Pre-proline 0 C--O 1.234 0.258 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 172.234 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.24 153.61 73.07 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.464 2.109 . . . . 0.0 110.978 170.605 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -57.29 -41.8 80.48 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.876 -177.603 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.6 p30 -58.96 -38.49 79.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.208 178.883 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -66.23 -40.47 90.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.818 0.342 . . . . 0.0 110.572 175.787 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 18.2 t -61.08 -40.62 94.37 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.001 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -66.24 -26.06 67.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.005 177.392 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 11.1 mm100 -80.54 -29.69 37.15 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.559 -0.713 . . . . 0.0 110.816 -178.251 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.5 ttp -91.61 -53.04 4.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.347 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 33.8 m -82.95 -28.18 30.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.022 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.501 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 19.3 m -67.64 -49.13 41.26 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -177.615 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 78.4 Cg_exo -56.67 -23.55 49.81 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 121.749 1.633 . . . . 0.0 112.409 173.416 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 1.8 tt -72.18 -59.69 2.61 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 176.184 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.851 -174.738 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.451 0.167 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.96 -32.55 73.87 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.641 -177.345 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.88 93.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.998 174.357 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -64.64 -34.77 79.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.242 178.197 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -62.95 -43.47 98.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.2 177.557 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.1 t -60.54 -46.55 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.048 178.854 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.52 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 47.3 m-85 -73.34 -28.45 62.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.284 -178.852 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.5 tt0 -72.88 -49.67 28.45 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.486 179.434 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -79.91 -19.24 48.58 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -171.416 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 24.6 p -62.69 -55.96 22.02 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.615 -177.066 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.439 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 22.1 p30 -73.06 -26.04 61.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.639 179.506 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 11' ' ' GLU . 42.9 t -61.82 -44.78 99.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 176.705 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -70.0 -76.92 0.09 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.704 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 pttm 174.64 86.61 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.241 0.616 . . . . 0.0 110.472 168.884 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.1 m -140.87 143.47 31.91 Favored Pre-proline 0 C--N 1.327 -0.375 0 O-C-N 121.519 -0.738 . . . . 0.0 109.463 173.679 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.55 154.19 74.86 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.527 2.152 . . . . 0.0 111.39 172.031 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -53.19 -41.22 65.04 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.512 0.196 . . . . 0.0 111.249 -178.668 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -57.07 -48.9 77.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.204 179.736 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -61.82 -41.34 97.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.732 0.301 . . . . 0.0 110.442 177.673 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.7 t -62.24 -42.98 99.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.143 0.497 . . . . 0.0 109.859 179.457 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -64.83 -37.86 89.03 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.273 178.377 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -74.34 -31.58 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.659 0.266 . . . . 0.0 111.447 -174.086 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 ttp -81.1 -45.5 16.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.205 179.445 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 16.8 m -86.36 -11.73 51.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -173.898 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.661 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.0 p -60.14 -50.43 86.16 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.523 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.661 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 67.4 Cg_exo -56.07 -25.89 56.76 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 121.897 1.732 . . . . 0.0 112.492 178.254 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 tt -78.07 -58.55 3.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.267 179.187 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.256 -175.159 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 . . . . . 0 CA--C 1.516 -0.347 0 N-CA-C 111.265 0.098 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -63.96 -41.07 97.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.85 0.357 . . . . 0.0 110.626 179.401 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.12 -45.74 83.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.513 177.988 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -67.34 -38.86 85.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.019 -179.056 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.01 -42.11 99.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.25 178.489 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.3 t -60.28 -56.31 23.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.808 178.241 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -68.64 -18.9 64.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.711 -175.46 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -79.54 -56.06 4.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.65 173.936 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -81.62 -18.65 43.95 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -171.384 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -53.88 -53.69 49.13 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.591 0.234 . . . . 0.0 111.147 -175.955 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -72.26 -28.94 63.46 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.158 178.479 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.2 t -66.55 -37.35 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.75 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 79.7 m-20 -70.35 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.152 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 22.8 ttpp 175.77 83.7 0.0 OUTLIER 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.646 0.591 . . . . 0.0 110.355 166.943 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.609 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -154.94 142.45 13.92 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 174.085 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.499 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.0 Cg_exo -66.61 153.62 77.33 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.715 2.277 . . . . 0.0 111.119 168.744 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.529 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 49.8 t80 -56.99 -38.2 72.72 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -177.092 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -58.94 -37.39 76.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.853 0.359 . . . . 0.0 110.412 177.251 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.609 ' OE1' ' HB ' ' A' ' 18' ' ' VAL . 64.8 tt0 -72.75 -33.93 66.69 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.319 176.306 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' A' ' 20' ' ' PHE . 56.5 m -55.72 -45.2 77.99 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.756 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -64.77 -40.79 95.85 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.999 179.423 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -64.3 -35.5 81.05 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.873 -174.111 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.2 ttp -83.76 -42.94 15.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.918 -177.919 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 97.0 m -103.97 6.89 36.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -172.852 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.656 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.1 p -56.67 -47.42 99.03 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.854 171.979 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.656 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 47.8 Cg_exo -62.44 -12.03 25.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.16 1.907 . . . . 0.0 112.848 174.789 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -89.76 -59.87 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.235 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.018 -174.841 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.675 0.274 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -63.97 -41.46 97.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.205 0.526 . . . . 0.0 110.273 178.175 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.62 87.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.231 176.891 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -63.07 -35.48 80.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.458 179.168 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -62.96 -43.32 99.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.401 176.124 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.27 -49.21 74.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 -179.039 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.59 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 55.7 m-85 -67.46 -27.71 67.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.55 179.79 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.7 tt0 -71.02 -55.27 8.65 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.124 176.941 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -70.64 -27.59 64.16 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -171.562 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.9 p -63.49 -50.37 69.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.391 . . . . 0.0 110.041 -179.229 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -73.22 -29.57 62.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.893 177.964 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 11' ' ' GLU . 44.9 t -63.36 -40.91 90.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.33 176.982 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -74.6 -77.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.818 179.002 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 173.95 86.23 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.626 0.579 . . . . 0.0 111.043 170.614 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -145.21 144.58 23.88 Favored Pre-proline 0 CA--C 1.534 0.356 0 O-C-N 121.654 -0.654 . . . . 0.0 109.745 174.072 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.99 154.21 75.38 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.852 2.368 . . . . 0.0 111.821 172.315 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -55.41 -44.67 76.41 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.923 0.329 . . . . 0.0 111.584 -175.842 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -57.75 -41.46 81.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.642 0.258 . . . . 0.0 111.148 -178.386 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -69.02 -38.28 79.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 176.505 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 21.9 t -61.85 -42.58 99.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.073 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -59.25 -39.21 82.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.042 177.003 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -62.53 -40.65 97.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.925 0.393 . . . . 0.0 110.749 -177.117 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.444 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 39.2 ttp -82.13 -44.17 16.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.681 -176.76 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.0 m -80.9 -21.22 40.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -173.656 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.668 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.5 p -60.23 -47.87 95.59 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.678 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.668 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 66.0 Cg_exo -57.11 -20.35 37.41 Favored 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 122.392 2.061 . . . . 0.0 113.182 178.157 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.65 -59.84 2.59 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.233 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.245 -174.415 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 120.498 0.19 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -64.92 -34.75 79.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 110.395 -177.598 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.24 84.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.249 176.844 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -62.39 -38.56 90.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.701 179.214 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.55 -38.17 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.707 177.583 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -57.67 -47.86 81.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 178.082 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.496 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 53.0 m-85 -68.9 -20.17 64.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.461 179.775 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.7 tt0 -81.68 -51.43 8.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.766 176.496 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.482 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 11.9 pt20 -80.11 -17.78 51.65 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -171.386 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 p -57.48 -55.85 29.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.618 0.247 . . . . 0.0 110.976 -175.76 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -71.54 -27.46 63.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.493 0.187 . . . . 0.0 111.179 177.152 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.482 ' HB ' ' HA ' ' A' ' 12' ' ' GLN . 42.7 t -62.57 -42.65 96.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.39 177.975 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 80.5 m-20 -69.37 -73.77 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.807 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.4 tttt 175.1 85.43 0.0 OUTLIER 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.669 0.605 . . . . 0.0 110.265 168.609 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.1 m -149.67 146.77 21.25 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-N 118.167 0.439 . . . . 0.0 109.879 174.779 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.51 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 13.5 Cg_exo -71.31 154.65 61.24 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.75 2.3 . . . . 0.0 111.135 168.254 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -52.52 -41.46 63.49 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.196 0.453 . . . . 0.0 111.857 -174.74 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.51 ' OD1' ' HB2' ' A' ' 19' ' ' PRO . 8.6 p-10 -58.78 -41.92 87.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.157 -178.673 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -67.34 -36.89 82.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.369 . . . . 0.0 110.09 176.108 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 38.9 t -58.46 -43.79 89.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.771 177.933 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -62.05 -42.88 99.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.558 177.212 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -74.98 -21.89 58.87 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.671 -171.283 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.5 ttp -90.39 -45.76 8.8 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.241 176.691 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -82.82 -26.13 32.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.66 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.517 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 23.2 t -62.62 -51.46 72.24 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-O 119.038 -0.506 . . . . 0.0 112.088 -177.773 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 89.3 Cg_exo -53.58 -32.76 65.51 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 122.083 1.855 . . . . 0.0 112.816 176.277 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.25 -51.02 61.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.775 176.367 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 . . . . . 0 C--N 1.319 -0.754 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.013 -174.129 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.817 0.342 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -70.19 -41.08 74.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.801 -179.761 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.02 94.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.126 176.677 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.18 -32.22 73.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.124 178.597 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -62.91 -43.81 97.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.389 178.284 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 t -60.06 -52.01 67.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.408 177.991 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.581 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 69.1 m-85 -68.67 -29.11 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.694 -176.254 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 15' ' ' VAL . 35.7 tt0 -69.87 -52.0 28.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.764 0.316 . . . . 0.0 110.416 176.108 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -81.16 -21.56 39.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -170.629 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -60.74 -50.1 74.85 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.931 -175.286 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -72.27 -29.03 63.51 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.918 178.194 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 11' ' ' GLU . 68.9 t -66.29 -36.32 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.378 179.206 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -73.5 -75.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 175.353 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 177.74 84.35 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.556 0.535 . . . . 0.0 111.017 169.33 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -149.09 141.66 15.33 Favored Pre-proline 0 C--O 1.236 0.372 0 O-C-N 121.333 -0.854 . . . . 0.0 109.721 172.072 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -68.21 154.96 71.09 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.948 2.432 . . . . 0.0 111.302 168.739 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -53.22 -44.51 68.11 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 117.987 0.358 . . . . 0.0 111.3 -177.847 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 3.8 p30 -56.98 -41.32 78.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.954 -179.659 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -66.18 -40.54 90.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.531 177.15 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.581 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 9.0 t -63.07 -40.05 96.53 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.819 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -64.06 -38.57 91.57 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.874 176.402 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 84.3 mm-40 -71.32 -22.04 61.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.049 -173.031 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.0 ttp -90.81 -52.56 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.975 179.365 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.7 m -103.21 6.32 38.19 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -170.879 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.62 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 29.9 p -59.28 -44.98 99.13 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 119.627 -0.829 . . . . 0.0 111.592 172.687 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.62 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 75.2 Cg_exo -55.38 -22.62 34.62 Favored 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 121.795 1.664 . . . . 0.0 112.525 175.265 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.3 -61.2 2.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.122 177.722 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.175 -173.21 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -161.9 76.4 2.23 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-O 120.695 0.283 . . . . 0.0 110.674 -175.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -56.31 -25.5 56.95 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.346 2.031 . . . . 0.0 112.179 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -67.21 -42.75 83.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.672 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -65.9 -36.42 83.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.511 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.97 81.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.271 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -63.7 -34.61 78.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.266 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.4 -43.53 94.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.361 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.4 t -64.41 -49.46 71.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.36 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.515 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 63.5 m-85 -67.47 -23.31 65.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.721 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 15' ' ' VAL . 42.6 tt0 -82.3 -54.07 5.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.696 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -70.17 -23.15 62.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -172.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 p -59.5 -51.78 68.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.745 0.307 . . . . 0.0 110.558 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -79.7 -28.84 40.61 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.146 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 11' ' ' GLU . 78.7 t -61.26 -41.96 91.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.552 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 82.7 m-20 -71.13 -76.87 0.1 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 81.7 tttt 172.45 87.29 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.681 0.613 . . . . 0.0 110.545 166.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -141.73 145.29 36.36 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 118.47 0.577 . . . . 0.0 109.521 172.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.69 152.43 69.28 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 123.04 2.494 . . . . 0.0 111.97 172.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -56.19 -44.37 79.36 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.544 0.211 . . . . 0.0 111.337 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.99 -38.06 87.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.031 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -68.62 -36.29 78.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.117 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 44.8 t -61.69 -47.22 86.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -61.57 -34.73 76.09 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.064 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.85 -38.64 89.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.008 0.432 . . . . 0.0 110.806 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.472 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 40.7 ttp -85.69 -43.33 13.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.783 -177.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.3 m -82.08 -20.12 38.81 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -172.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.645 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.7 p -58.92 -46.45 99.53 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.645 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 71.5 Cg_exo -54.36 -37.34 88.92 Favored 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 121.925 1.75 . . . . 0.0 112.529 177.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -68.96 -57.6 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.281 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.42 -62.12 1.71 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.552 -173.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.691 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 0.8 OUTLIER -151.45 106.03 3.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.922 0.392 . . . . 0.0 111.642 -178.481 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 C--N 1.323 -0.546 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 171.59 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -159.82 68.46 2.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -57.2 -26.33 69.13 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.51 2.14 . . . . 0.0 113.376 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -64.32 -36.78 85.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.593 0.235 . . . . 0.0 111.415 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.27 -42.21 93.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.269 0.557 . . . . 0.0 110.197 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.73 91.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.472 176.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -63.81 -35.29 80.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.151 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.64 -40.72 97.89 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.419 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.07 -47.42 82.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.666 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.7 m-85 -69.48 -24.49 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.5 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 15' ' ' VAL . 10.8 tp10 -69.11 -64.08 0.94 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.14 0.495 . . . . 0.0 110.242 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -71.14 -23.65 62.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.442 -169.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 28.5 p -61.43 -51.94 66.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 110.203 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.421 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 64.7 t30 -72.8 -27.96 62.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 11' ' ' GLU . 60.1 t -66.68 -38.08 80.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.669 0.271 . . . . 0.0 110.737 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -73.86 -76.64 0.13 Allowed 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.855 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.1 pttp 174.91 85.35 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.786 0.679 . . . . 0.0 110.213 172.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -146.1 143.14 18.67 Favored Pre-proline 0 C--O 1.236 0.388 0 O-C-N 121.561 -0.712 . . . . 0.0 109.788 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.91 153.44 75.75 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.806 2.337 . . . . 0.0 111.384 170.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.83 -42.23 79.27 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.2 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.9 p30 -59.98 -40.74 90.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.643 0.259 . . . . 0.0 110.406 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -63.48 -40.6 97.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.965 0.412 . . . . 0.0 110.166 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.666 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 22.2 t -62.53 -44.38 96.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -57.9 -37.86 74.78 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.171 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 98.6 mt-30 -68.39 -36.17 78.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.827 0.346 . . . . 0.0 110.707 -174.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.0 ttp -85.6 -37.11 19.9 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.655 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.8 m -84.65 -20.56 31.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.602 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 17.8 p -61.94 -44.69 90.82 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.602 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 58.2 Cg_exo -57.95 -23.43 59.81 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 121.935 1.757 . . . . 0.0 112.674 174.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.32 -63.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.72 -42.71 85.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.836 -175.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.554 ' HA ' ' HE ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 60.13 83.44 0.14 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.268 0.556 . . . . 0.0 111.506 177.404 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.7 p . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.167 175.426 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.743 0.306 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -152.56 70.61 7.4 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -53.87 -22.31 23.51 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 123.162 2.575 . . . . 0.0 113.796 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 4' ' ' GLN . 15.0 mm-40 -65.48 -28.58 69.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -68.73 -38.8 80.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.211 0.529 . . . . 0.0 109.965 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.3 -43.08 87.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.171 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -63.02 -35.47 80.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.319 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.41 -42.58 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.36 -50.39 73.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.46 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.487 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 52.8 m-85 -66.63 -35.68 80.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.522 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.6 tp10 -65.4 -50.11 66.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.654 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.434 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 17.2 mm100 -64.01 -21.88 66.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.435 -177.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.568 ' HB3' HG22 ' A' ' 18' ' ' VAL . 61.2 m -57.94 -51.43 69.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.294 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.25 -28.5 38.44 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.985 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.434 ' HB ' ' HA ' ' A' ' 12' ' ' GLN . 55.3 t -57.45 -48.06 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.289 0.368 . . . . 0.0 110.42 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 61.1 m-20 -80.34 -80.56 0.13 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.829 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 64.1 tttp 170.36 87.79 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.44 0.696 . . . . 0.0 110.287 168.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -137.52 144.94 47.07 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 119.372 0.987 . . . . 0.0 110.04 174.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.422 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.3 Cg_exo -63.8 150.32 88.7 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.629 2.219 . . . . 0.0 111.334 172.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -58.76 -41.26 86.14 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -61.6 -37.61 84.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.671 0.272 . . . . 0.0 110.484 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -65.24 -43.13 92.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.291 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.4 t -63.08 -42.93 99.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.2 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -60.8 -32.14 71.49 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.42 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -71.07 -30.88 67.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.0 ttp -90.61 -48.01 7.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.985 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.0 m -82.6 -23.31 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -171.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.506 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 19.6 t -63.19 -49.47 80.06 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.762 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 60.9 Cg_exo -57.64 -14.98 18.84 Favored 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 122.05 1.833 . . . . 0.0 113.159 176.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tt -85.02 -58.43 2.7 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.46 -30.31 69.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.475 -175.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -115.35 153.21 31.41 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.317 -0.836 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 178.933 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.711 0.291 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.443 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 61.7 m -152.21 58.03 2.42 Favored Pre-proline 0 CA--C 1.538 0.503 0 O-C-N 122.407 -0.183 . . . . 0.0 111.351 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 2' ' ' SER . 39.6 Cg_exo -59.24 -55.29 1.95 Allowed 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.597 2.198 . . . . 0.0 113.26 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.467 HE21 ' HG3' ' A' ' 5' ' ' GLN . 4.8 pm0 -57.66 -35.47 70.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.788 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HG3' HE21 ' A' ' 4' ' ' GLN . 72.1 mt-30 -76.92 -34.54 57.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.143 0.497 . . . . 0.0 110.275 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.37 90.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.822 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -62.57 -34.2 76.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.799 178.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.424 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 85.6 t80 -67.0 -40.94 87.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.348 175.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.2 t -59.31 -47.51 85.13 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.41 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 59.2 m-85 -71.45 -29.61 65.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.841 -178.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.54 -53.15 17.26 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.637 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 21.6 mm-40 -80.34 -19.49 46.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -169.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.7 p -57.28 -55.44 34.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.601 0.239 . . . . 0.0 111.048 -175.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -69.54 -28.97 66.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.655 0.264 . . . . 0.0 110.919 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.7 t -68.79 -39.26 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.398 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.532 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 83.2 m-20 -67.87 -75.98 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 44.8 mttt 174.87 85.03 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.836 0.855 . . . . 0.0 109.993 171.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.424 ' HB ' ' HG2' ' A' ' 22' ' ' GLN . 1.4 m -149.16 142.72 16.26 Favored Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 118.528 0.604 . . . . 0.0 110.062 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -65.38 155.53 68.21 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.085 2.523 . . . . 0.0 111.463 168.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -55.76 -44.17 77.4 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.318 0.508 . . . . 0.0 111.785 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -60.14 -38.06 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.745 0.307 . . . . 0.0 111.068 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.424 ' HG2' ' HB ' ' A' ' 18' ' ' VAL . 5.4 tp-100 -64.61 -40.09 94.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.061 0.457 . . . . 0.0 110.012 173.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 35.9 t -61.41 -46.91 88.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.118 0.485 . . . . 0.0 109.708 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -63.26 -40.84 98.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.45 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -73.03 -24.27 60.7 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.866 -172.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.3 ttp -87.95 -44.0 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.599 0.238 . . . . 0.0 111.227 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.91 -24.68 30.65 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.661 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 35.7 p -62.44 -46.82 89.87 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.661 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -60.55 -14.24 29.8 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 122.068 1.845 . . . . 0.0 112.886 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.0 tp -87.31 -58.09 2.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.322 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -73.84 -49.28 25.84 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.077 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.593 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -98.27 64.14 1.6 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.391 0.615 . . . . 0.0 110.669 -170.36 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.388 176.738 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.644 0.259 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 32.2 t -169.83 83.1 0.61 Allowed Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.68 -178.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -58.43 -17.45 33.96 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.065 1.843 . . . . 0.0 111.993 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -71.76 -49.75 36.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.131 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 2' ' ' SER . 24.8 pt20 -63.46 -27.58 69.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.118 0.485 . . . . 0.0 110.479 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.08 88.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.86 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.44 -36.93 81.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.752 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -66.85 -43.4 83.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.275 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -56.5 -49.77 73.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.863 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.534 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.1 m-85 -68.85 -43.41 75.5 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.781 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.1 tt0 -63.57 -38.5 91.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.998 -175.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -79.1 -18.27 53.61 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.656 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.402 ' CA ' HG13 ' A' ' 18' ' ' VAL . 13.3 m -55.05 -60.5 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.464 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -70.72 -26.71 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.048 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 11' ' ' GLU . 53.4 t -61.72 -45.13 99.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.493 176.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 67.1 m-20 -79.33 -77.08 0.18 Allowed 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.781 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.591 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 176.46 84.05 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.21 0.604 . . . . 0.0 110.296 170.364 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -161.61 127.67 2.36 Favored Pre-proline 0 C--O 1.235 0.332 0 O-C-N 121.315 -0.865 . . . . 0.0 110.353 175.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 34.6 Cg_exo -60.72 152.11 71.73 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.334 2.689 . . . . 0.0 112.503 176.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -55.44 -43.17 75.13 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -177.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -61.79 -42.39 98.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 111.334 -177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -69.28 -34.61 74.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.846 0.355 . . . . 0.0 110.375 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.1 t -64.22 -38.03 89.61 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 28' ' ' SER . 23.0 t80 -56.99 -35.47 69.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.175 176.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -69.69 -30.48 68.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 35.6 ttp -91.33 -53.93 4.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 37.3 m -77.82 -26.07 49.29 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 33.4 m -62.99 -50.66 75.74 Favored Pre-proline 0 CA--C 1.534 0.354 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.24 -39.46 62.12 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.962 1.775 . . . . 0.0 112.493 174.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 16.2 tp -56.44 -56.13 25.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.099 175.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -76.86 -54.23 6.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.98 -173.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.513 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 4.3 mmp_? -99.06 81.59 2.61 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.928 0.394 . . . . 0.0 110.154 -178.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.509 176.836 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -157.48 86.98 2.64 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -48.69 -35.23 29.5 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.051 2.5 . . . . 0.0 113.706 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -59.31 -25.74 64.4 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -76.19 -42.84 44.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.165 0.507 . . . . 0.0 109.933 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.66 86.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.337 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 28.4 tptp -61.87 -37.17 83.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -65.7 -43.52 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.6 t -62.87 -51.26 67.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.544 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.1 m-85 -67.74 -30.72 70.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.194 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 15' ' ' VAL . 31.1 tt0 -72.18 -49.45 35.47 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -80.85 -23.45 39.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -173.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -58.77 -56.5 21.41 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.922 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -72.03 -26.4 62.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 11' ' ' GLU . 49.8 t -67.6 -38.58 80.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.422 0.153 . . . . 0.0 110.778 177.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 5.8 m-20 -68.27 -75.17 0.11 Allowed 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 88.6 tttt 174.38 85.4 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 O-C-N 123.794 0.683 . . . . 0.0 109.885 167.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -147.1 145.29 21.64 Favored Pre-proline 0 C--O 1.236 0.367 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.306 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.5 Cg_exo -64.25 149.17 90.75 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.893 2.395 . . . . 0.0 111.034 170.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -58.74 -39.8 81.95 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.639 0.257 . . . . 0.0 111.185 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -61.31 -34.67 75.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.862 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -73.31 -37.78 66.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.503 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 26.6 t -59.34 -39.61 83.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -65.97 -17.63 64.81 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.541 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -81.43 -40.53 23.23 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.889 -0.507 . . . . 0.0 110.004 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.2 ttp -87.72 -42.87 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.181 -175.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.8 m -83.13 -16.44 46.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.66 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 30.2 p -61.76 -46.99 93.14 Favored Pre-proline 0 CA--C 1.543 0.678 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.66 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 51.3 Cg_exo -58.41 -21.65 54.65 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.894 1.73 . . . . 0.0 112.791 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 tt -80.72 -56.81 3.89 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.89 -35.3 78.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.279 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -135.2 90.09 2.59 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.412 -178.082 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -161.71 52.26 0.38 Allowed Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -70.29 -51.34 0.35 Allowed 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.772 1.648 . . . . 0.0 113.082 -176.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -67.41 -38.95 85.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.122 -176.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -61.78 -43.64 98.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.108 0.48 . . . . 0.0 110.474 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.77 86.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.554 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -64.73 -38.15 90.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.072 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -64.34 -43.09 95.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.359 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.0 t -58.92 -46.98 86.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.954 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.561 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.3 m-85 -72.03 -38.31 69.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.016 -178.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 15' ' ' VAL . 31.6 tt0 -65.22 -45.15 85.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.527 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -68.09 -21.43 64.97 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.214 -176.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.441 ' CA ' HG13 ' A' ' 18' ' ' VAL . 49.6 m -59.31 -52.14 66.93 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.131 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -77.25 -28.55 53.61 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.939 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 11' ' ' GLU . 73.2 t -62.37 -45.47 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.253 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 77.9 m-20 -81.74 -77.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.286 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 56.3 tttm 172.88 86.94 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 O-C-N 123.452 0.47 . . . . 0.0 110.54 170.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.441 HG13 ' CA ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -159.38 130.94 3.99 Favored Pre-proline 0 N--CA 1.466 0.352 0 O-C-N 121.709 -0.619 . . . . 0.0 110.637 176.059 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 32.3 Cg_exo -59.64 152.15 64.63 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.659 2.906 . . . . 0.0 112.765 177.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.33 -39.6 83.64 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.726 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -65.11 -42.24 94.14 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.236 -0.186 . . . . 0.0 111.091 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -70.15 -36.07 74.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 110.304 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 12.1 t -60.62 -41.99 95.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -57.92 -35.46 71.1 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.218 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -66.12 -35.24 79.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.151 0.5 . . . . 0.0 110.211 -175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.416 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 34.3 ttp -90.15 -43.63 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.071 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.5 m -81.96 -16.09 51.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -174.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.68 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.8 p -58.47 -49.82 91.42 Favored Pre-proline 0 CA--C 1.541 0.635 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.783 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.68 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 73.2 Cg_exo -54.89 -29.2 62.45 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 122.028 1.819 . . . . 0.0 112.984 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -70.67 -54.16 12.94 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -70.98 -47.99 55.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.658 -173.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -145.39 126.53 14.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.834 0.35 . . . . 0.0 110.444 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.822 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.083 0.468 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.538 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 11.4 t -165.12 68.74 1.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.71 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -56.17 -26.88 62.87 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.307 2.005 . . . . 0.0 112.881 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -69.0 -38.59 79.38 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.127 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 2' ' ' SER . 1.7 pt20 -66.15 -31.77 72.81 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.228 0.537 . . . . 0.0 109.931 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.13 -44.63 71.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.176 174.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -61.32 -38.2 86.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.239 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -61.43 -38.67 87.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.213 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.7 t -63.13 -49.09 75.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.13 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.628 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.4 m-85 -72.22 -22.98 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.005 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.9 tm-20 -81.96 -51.42 8.08 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -78.05 -19.84 53.51 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 p -59.45 -53.93 52.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.678 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -73.33 -28.76 62.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.017 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' GLU . 53.5 t -62.63 -40.78 89.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.648 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 91.8 m-20 -68.69 -75.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.6 tttt 174.44 86.38 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.582 0.552 . . . . 0.0 110.081 167.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -145.5 145.32 25.61 Favored Pre-proline 0 C--O 1.235 0.307 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 173.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.37 154.51 73.31 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.77 2.313 . . . . 0.0 111.653 171.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -55.3 -44.56 75.85 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 117.557 0.162 . . . . 0.0 111.373 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.588 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.9 p-10 -59.4 -39.99 85.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.756 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -65.38 -41.03 94.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.992 0.425 . . . . 0.0 110.428 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.628 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.0 t -60.61 -42.95 97.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.246 0.546 . . . . 0.0 109.531 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -63.54 -28.71 70.13 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.59 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 75.0 mt-30 -73.03 -37.15 67.02 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.747 -175.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 56.7 mtm -86.06 -41.87 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.721 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.8 m -84.17 -12.22 55.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -173.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.663 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.8 p -62.5 -50.26 79.6 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.663 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.7 Cg_exo -58.64 -21.94 58.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 121.645 1.563 . . . . 0.0 112.363 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -80.85 -63.47 1.4 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -70.18 -37.04 75.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.609 -173.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 59.21 74.36 0.44 Allowed 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 -174.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 m . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.438 -178.386 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.577 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 71.1 m -153.38 65.51 5.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 C-N-CA 121.258 -0.177 . . . . 0.0 111.005 -178.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -57.28 -28.19 78.63 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.351 2.034 . . . . 0.0 113.441 -176.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.413 HE22 ' HB3' ' A' ' 2' ' ' SER . 5.4 pm0 -67.71 -33.33 74.69 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -175.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.9 pt20 -69.49 -37.91 77.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.39 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.62 -43.61 76.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.054 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -62.64 -31.5 72.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.026 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.459 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 63.7 t80 -67.35 -41.54 85.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.442 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.53 -46.79 88.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.193 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.567 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 85.2 m-85 -74.4 -24.07 59.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.904 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.8 pt-20 -76.57 -47.67 21.75 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.611 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 22.4 mm-40 -75.69 -26.03 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.226 -0.296 . . . . 0.0 111.573 -172.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HB2' HG21 ' A' ' 18' ' ' VAL . 28.9 p -59.81 -55.19 37.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.475 0.179 . . . . 0.0 110.974 -176.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -73.36 -26.55 61.06 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.612 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 11' ' ' GLU . 36.9 t -62.63 -42.37 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 74.2 m-20 -70.93 -76.4 0.1 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.714 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.57 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.34 85.22 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 O-C-N 123.792 0.683 . . . . 0.0 110.078 168.8 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.422 HG21 ' HB2' ' A' ' 13' ' ' CYS . 1.3 m -144.56 142.32 19.09 Favored Pre-proline 0 C--O 1.235 0.29 0 O-C-N 120.843 -1.161 . . . . 0.0 110.365 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.411 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 20.4 Cg_exo -66.72 154.99 72.54 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.846 2.364 . . . . 0.0 111.161 169.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.18 -42.56 66.32 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.123 0.419 . . . . 0.0 111.586 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.536 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 6.6 p-10 -58.71 -40.5 83.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.52 0.2 . . . . 0.0 110.582 -178.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -65.67 -40.89 92.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.795 0.331 . . . . 0.0 110.525 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.6 t -61.43 -43.86 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.14 -30.69 71.21 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.595 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 21.9 mm-40 -70.28 -38.45 75.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.978 0.418 . . . . 0.0 110.733 -176.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.9 ttp -82.93 -39.53 21.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.741 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.1 m -86.12 -14.73 43.33 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -174.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.69 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 4.6 p -59.13 -51.19 83.48 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.69 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.9 Cg_exo -61.9 -12.8 27.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 121.99 1.794 . . . . 0.0 112.95 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -91.68 -65.69 0.99 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.271 0.557 . . . . 0.0 109.584 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -73.2 -54.45 8.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.91 -170.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -128.72 87.81 2.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.92 0.39 . . . . 0.0 110.849 -174.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.434 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . 22.9 p . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.732 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.95 0.405 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -158.0 61.3 2.11 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.783 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.98 -54.77 4.51 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.91 2.407 . . . . 0.0 113.838 -174.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -58.15 -45.95 86.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.371 . . . . 0.0 111.418 -176.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 13.2 mm-40 -71.27 -40.26 71.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.004 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.26 86.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.812 0.339 . . . . 0.0 110.246 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -62.37 -39.48 93.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.012 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.536 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 55.4 t80 -66.5 -37.72 85.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.235 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.57 -50.58 73.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.663 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -78.31 -26.64 47.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.379 -175.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.553 ' HG3' ' HG2' ' A' ' 12' ' ' GLN . 10.5 pt-20 -74.18 -46.6 41.09 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.843 -178.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.553 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 23.1 mm-40 -79.83 -24.54 41.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -173.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.469 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.9 p -58.26 -53.58 56.72 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.059 -0.257 . . . . 0.0 111.126 -174.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.91 -28.79 61.71 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.639 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.1 t -66.32 -40.48 86.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 0.0 110.402 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 90.0 m-20 -70.08 -73.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 54.6 tttm 176.69 84.5 0.01 OUTLIER 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.355 0.409 . . . . 0.0 110.937 169.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.521 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -150.6 143.0 16.0 Favored Pre-proline 0 C--O 1.235 0.312 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.577 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' O ' HG23 ' A' ' 18' ' ' VAL . 18.8 Cg_exo -65.99 148.22 85.49 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.472 2.115 . . . . 0.0 110.935 171.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.74 -42.08 74.87 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.23 0.468 . . . . 0.0 111.272 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -56.33 -44.1 79.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.995 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.521 ' OE1' ' HB ' ' A' ' 18' ' ' VAL . 35.8 tt0 -64.43 -38.08 89.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.228 177.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.8 t -63.26 -45.36 91.85 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.91 -40.19 94.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -66.19 -32.0 73.17 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.838 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.5 ttp -90.03 -41.36 11.75 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -92.45 -9.23 42.27 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -172.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.602 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.3 p -58.69 -43.73 98.19 Favored Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.602 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.5 Cg_exo -59.63 -11.16 13.4 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 121.863 1.709 . . . . 0.0 113.271 175.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -89.3 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -73.43 -31.6 63.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.574 -175.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -121.63 56.05 1.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -176.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.15 179.602 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 121.015 0.436 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.575 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 10.7 t -161.37 72.94 2.57 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -177.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -52.12 -28.73 34.21 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.777 2.318 . . . . 0.0 113.151 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -61.29 -30.99 70.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.575 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 2' ' ' SER . 20.1 pt20 -73.34 -26.87 61.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.09 0.471 . . . . 0.0 110.588 -177.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.4 95.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.613 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -64.68 -32.12 73.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.179 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -64.35 -45.31 88.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.127 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -60.79 -49.94 75.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.315 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.651 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.5 m-85 -70.36 -29.11 65.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.888 -178.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.2 tt0 -75.61 -52.78 9.78 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.813 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -76.59 -21.72 55.21 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -171.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.475 ' O ' HG13 ' A' ' 18' ' ' VAL . 31.7 p -60.04 -55.0 39.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.005 0.431 . . . . 0.0 110.163 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 4.5 t-20 -70.58 -28.95 65.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.632 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 11' ' ' GLU . 48.0 t -66.44 -44.33 90.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.75 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 87.8 m-20 -65.37 -74.69 0.1 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 60.1 tttp 175.25 84.66 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 O-C-N 123.588 0.555 . . . . 0.0 110.469 166.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER -145.21 141.85 17.63 Favored Pre-proline 0 C--O 1.235 0.341 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 172.596 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -68.51 155.31 69.46 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.08 2.52 . . . . 0.0 111.757 170.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -51.59 -43.3 62.43 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.09 -39.87 87.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.37 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -69.07 -36.47 77.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.953 0.406 . . . . 0.0 110.102 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.651 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.5 t -62.41 -43.55 98.55 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -59.89 -36.04 76.1 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.212 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -65.54 -36.25 83.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 0.0 110.81 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.433 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 42.7 ttp -86.93 -42.4 13.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.708 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.9 m -84.64 -18.11 36.45 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -173.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.637 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 58.7 p -62.56 -44.27 86.55 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 78.2 Cg_exo -56.11 -20.68 31.79 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 121.962 1.775 . . . . 0.0 112.566 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 tt -90.71 -63.33 1.29 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -70.69 -59.26 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.055 -170.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -130.45 106.21 8.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.092 0.472 . . . . 0.0 111.553 -176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.519 ' OG ' ' HA ' ' A' ' 29' ' ' PRO . 73.1 m . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.018 174.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.48 0.181 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -174.34 73.47 0.33 Allowed Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.68 -31.18 94.28 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.666 2.244 . . . . 0.0 113.799 -176.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -76.75 -47.3 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.918 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -64.45 -32.71 74.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 110.156 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.45 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -62.28 -43.26 99.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.636 176.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -65.08 -34.43 78.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.044 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -65.12 -45.11 86.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.075 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.3 t -56.78 -52.36 65.33 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.537 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.662 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m-85 -70.82 -19.29 62.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.005 -176.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.5 tt0 -79.61 -50.53 10.53 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.641 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -80.56 -22.06 41.13 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -171.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.406 ' O ' HG13 ' A' ' 18' ' ' VAL . 26.9 p -60.29 -54.37 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.198 -0.201 . . . . 0.0 111.123 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -71.72 -28.57 63.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.571 0.224 . . . . 0.0 111.355 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 11' ' ' GLU . 55.7 t -64.01 -35.61 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.739 0.304 . . . . 0.0 110.26 176.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 87.0 m-20 -75.33 -73.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 57.2 tttp 176.25 83.87 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.484 0.49 . . . . 0.0 110.372 170.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -152.47 142.7 15.15 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 172.58 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' O ' HG23 ' A' ' 18' ' ' VAL . 15.7 Cg_exo -68.82 154.73 70.57 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.762 2.308 . . . . 0.0 111.786 170.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -51.0 -46.09 61.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 117.723 0.238 . . . . 0.0 111.325 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.58 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.9 p30 -59.06 -41.37 87.77 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.205 -178.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -67.81 -35.41 78.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.868 0.366 . . . . 0.0 110.519 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.662 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 12.1 t -63.12 -41.38 99.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.28 -33.24 75.09 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.501 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 99.2 mt-30 -65.2 -36.04 82.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.054 0.454 . . . . 0.0 110.419 -175.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.5 ttp -82.85 -48.02 11.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.094 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.27 7.51 40.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -172.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.628 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.0 p -54.57 -46.22 99.28 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-O 119.068 -0.492 . . . . 0.0 112.301 172.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.628 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 53.2 Cg_exo -61.03 -14.6 34.12 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.871 1.714 . . . . 0.0 112.94 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 6' ' ' ALA . 1.9 tt -91.29 -60.53 1.87 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -78.01 -51.25 10.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.467 -174.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 62.99 95.87 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.332 0.587 . . . . 0.0 111.938 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.425 176.645 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.6 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 7.4 t -166.11 71.27 1.21 Allowed Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.04 -19.45 40.75 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.325 2.016 . . . . 0.0 113.307 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -70.81 -37.14 73.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.814 -0.176 . . . . 0.0 111.216 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.8 pt20 -65.44 -34.27 77.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.956 0.408 . . . . 0.0 110.507 -178.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.29 -43.96 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.213 174.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HZ3' ' HB3' ' A' ' 11' ' ' GLU . 26.6 tptp -59.38 -39.36 83.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.366 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.451 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 53.0 t80 -66.44 -38.84 88.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.747 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.62 -45.25 94.72 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.305 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.523 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 70.3 m-85 -74.33 -40.13 62.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.364 -176.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.8 pt-20 -71.62 -36.34 70.75 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.38 -176.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -67.47 -23.32 65.49 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.172 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' O ' HG13 ' A' ' 18' ' ' VAL . 51.0 m -57.39 -54.36 47.68 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.88 176.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -72.63 -27.81 62.36 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.957 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 11' ' ' GLU . 72.6 t -65.9 -37.74 80.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.527 176.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.593 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 81.3 m-20 -81.32 -77.42 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.962 178.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 31.7 mttm 172.96 85.77 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.339 1.056 . . . . 0.0 109.961 169.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -160.27 129.81 3.29 Favored Pre-proline 0 CA--C 1.537 0.451 0 O-C-N 121.898 -0.501 . . . . 0.0 110.929 177.505 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 25.9 Cg_exo -63.23 151.59 84.08 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.392 2.728 . . . . 0.0 112.59 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -54.15 -45.53 72.04 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -174.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -60.78 -38.52 85.58 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.693 0.282 . . . . 0.0 111.296 -176.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -71.95 -36.36 69.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.319 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 30.8 t -62.12 -39.82 93.8 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.98 -29.39 65.19 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.6 177.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -75.16 -27.84 59.85 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.551 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 43.7 ttp -90.74 -46.1 8.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.865 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.7 m -84.41 -2.2 56.78 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.627 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 2.7 p -58.99 -49.88 90.95 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.627 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.0 Cg_exo -58.22 -16.59 28.62 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 121.839 1.693 . . . . 0.0 112.658 177.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.443 HD21 ' HG3' ' A' ' 5' ' ' GLN . 2.4 tt -90.55 -64.38 1.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.896 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -74.86 -26.11 59.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.011 -172.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -114.27 117.26 30.63 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -175.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.5 m . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.736 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.784 0.326 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -157.55 67.45 3.88 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.048 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -50.39 -36.63 48.73 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.955 2.437 . . . . 0.0 113.844 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -66.57 -40.75 89.15 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -174.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -77.49 -28.46 52.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.335 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.64 89.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.507 176.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.24 -35.21 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.638 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -66.9 -41.66 86.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.031 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.8 t -61.12 -48.69 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.203 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -72.17 -22.25 61.32 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -87.89 -43.49 11.76 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.514 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -81.79 -17.9 45.99 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -175.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.1 p -56.54 -55.32 35.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -70.62 -28.18 64.64 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.498 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.3 t -65.27 -40.5 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.743 0.306 . . . . 0.0 110.659 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -69.04 -74.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.552 ' O ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.93 85.29 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.898 0.749 . . . . 0.0 110.322 169.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -149.69 144.2 17.54 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 121.278 -0.889 . . . . 0.0 109.763 173.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -68.4 154.92 70.88 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.906 2.404 . . . . 0.0 111.484 168.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -51.66 -45.53 63.43 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.871 0.305 . . . . 0.0 111.555 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 5.5 p-10 -59.16 -39.93 84.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.699 0.285 . . . . 0.0 111.027 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -66.57 -37.85 85.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.85 0.357 . . . . 0.0 110.468 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.0 t -59.85 -44.76 93.94 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.94 -40.93 95.16 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.249 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 51.2 mt-30 -62.31 -39.37 92.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.809 0.338 . . . . 0.0 111.108 -174.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.9 ttp -83.19 -45.83 13.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.898 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.9 m -86.26 -15.82 39.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -172.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.665 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 38.9 p -62.97 -47.2 87.07 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.665 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 53.0 Cg_exo -60.46 -15.22 34.66 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 121.946 1.764 . . . . 0.0 112.788 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.56 -59.08 2.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' OE2' ' HB2' ' A' ' 32' ' ' ARG . 9.3 tm-20 -70.53 -44.13 68.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.055 -174.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.422 ' HB2' ' OE2' ' A' ' 31' ' ' GLU . 6.3 tpp180 -136.15 96.2 3.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.861 0.363 . . . . 0.0 110.956 -171.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.32 -0.706 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.266 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.574 0.226 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.524 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 2.5 t -162.64 53.52 0.41 Allowed Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.959 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' A' ' 2' ' ' SER . 34.3 Cg_exo -56.77 -52.63 6.45 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.658 2.239 . . . . 0.0 113.743 -176.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -65.36 -43.95 89.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.679 0.276 . . . . 0.0 111.588 -175.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -66.62 -29.22 69.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.797 0.332 . . . . 0.0 110.965 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.13 -32.92 74.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.693 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -61.04 -32.09 71.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.072 177.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.498 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 80.3 t80 -67.59 -36.23 80.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.432 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.3 t -62.97 -50.71 69.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.948 0.404 . . . . 0.0 110.05 174.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.511 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 46.1 m-85 -65.26 -26.49 68.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.023 -176.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 15' ' ' VAL . 10.6 pt-20 -78.88 -50.4 11.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.54 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.47 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 21.9 mm-40 -73.06 -25.78 61.04 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -174.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -59.53 -47.61 84.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.909 0.385 . . . . 0.0 110.336 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -74.55 -28.96 61.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 178.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.7 t -68.19 -40.61 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.682 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 73.7 m-20 -70.51 -76.39 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 20.5 mttm 173.27 85.89 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.829 0.852 . . . . 0.0 110.36 168.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -143.15 143.63 25.45 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.75 153.63 71.14 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.63 2.22 . . . . 0.0 111.171 171.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.07 -43.17 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.749 0.249 . . . . 0.0 110.949 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -57.58 -40.75 79.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.646 0.26 . . . . 0.0 110.915 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -65.7 -41.76 91.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.521 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.511 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.2 t -60.53 -43.55 97.04 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.81 -45.75 92.51 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.352 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -64.86 -31.3 72.46 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.36 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.0 ttp -78.35 -50.3 12.01 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.585 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.7 m -107.16 5.63 27.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -171.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.687 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.8 p -59.58 -47.13 98.4 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.235 170.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.687 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 32.2 Cg_exo -63.94 -15.11 47.24 Favored 'Trans proline' 0 C--N 1.364 1.346 0 C-N-CA 121.971 1.781 . . . . 0.0 112.836 174.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.3 -56.28 4.69 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 2.6 tm-20 -78.19 -71.48 0.42 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.629 -174.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 14.5 mmm180 -159.41 126.28 4.61 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.322 -0.597 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -178.065 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 121.025 0.441 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 10.2 t -163.78 70.22 1.74 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.924 -178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.93 -16.76 33.74 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.275 1.984 . . . . 0.0 112.875 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.83 -29.73 70.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.563 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 2' ' ' SER . 11.6 pt20 -68.48 -38.68 81.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.33 0.586 . . . . 0.0 110.242 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.19 -39.63 75.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.184 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -64.13 -36.55 84.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.266 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.46 -40.5 96.83 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.172 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t -63.97 -50.49 68.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.362 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.607 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m-85 -64.32 -24.19 67.56 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.884 0.373 . . . . 0.0 111.445 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 15' ' ' VAL . 9.3 tp10 -73.41 -62.48 1.46 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.12 0.486 . . . . 0.0 110.185 176.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -72.64 -20.12 61.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -171.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 31.9 p -59.17 -60.98 3.0 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.416 -174.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.442 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 21.9 p-10 -70.77 -27.89 64.26 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.901 -0.319 . . . . 0.0 111.131 178.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 11' ' ' GLU . 41.4 t -58.6 -43.06 86.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 O-C-N 123.138 0.274 . . . . 0.0 110.57 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -70.26 -74.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 22.6 pttp 176.68 84.47 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.646 0.591 . . . . 0.0 110.786 169.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -146.2 141.13 16.14 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 121.565 -0.71 . . . . 0.0 109.523 173.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.66 155.18 70.42 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.946 2.431 . . . . 0.0 111.362 169.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -52.41 -44.05 65.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 117.952 0.342 . . . . 0.0 111.636 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -59.55 -39.85 85.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.718 0.294 . . . . 0.0 110.711 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -66.27 -39.27 89.31 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.822 0.344 . . . . 0.0 110.211 176.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.607 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 34.9 t -60.76 -44.9 96.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -59.89 -40.71 89.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -68.98 -27.48 65.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.521 -173.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.2 ttp -90.33 -47.57 7.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.706 0.289 . . . . 0.0 111.39 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.0 m -77.11 -26.85 53.75 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.574 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 47.2 t -64.9 -54.55 34.15 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 120.211 -0.595 . . . . 0.0 111.451 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.675 ' O ' ' HB2' ' A' ' 33' ' ' SER . 55.6 Cg_exo -57.66 -21.35 46.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.116 1.877 . . . . 0.0 112.968 175.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.6 -57.21 5.46 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -68.05 -49.44 61.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.269 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -136.08 116.44 13.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -175.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.675 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 8.2 t . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.557 0.218 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.567 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 17.1 t -167.74 79.34 0.89 Allowed Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -174.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -55.89 -27.96 65.6 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.292 1.994 . . . . 0.0 112.686 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -69.63 -42.21 74.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.315 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.0 pt20 -65.19 -31.21 72.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.124 0.487 . . . . 0.0 110.264 -178.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.68 85.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.586 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -65.3 -32.52 74.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.775 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -64.48 -41.16 96.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.182 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 t -60.99 -48.57 81.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.869 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.2 m-85 -68.63 -29.28 67.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.99 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 15' ' ' VAL . 34.8 tt0 -72.56 -48.8 37.1 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.59 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -80.78 -25.24 38.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -171.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' HG13 ' A' ' 18' ' ' VAL . 31.4 p -56.73 -56.36 22.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.608 0.242 . . . . 0.0 110.989 -175.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -71.76 -27.05 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 11' ' ' GLU . 49.8 t -66.2 -36.74 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.625 0.25 . . . . 0.0 110.462 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -72.45 -75.58 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.58 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER 176.95 84.96 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 O-C-N 123.647 0.592 . . . . 0.0 110.5 168.708 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER -147.09 140.77 15.24 Favored Pre-proline 0 C--O 1.235 0.298 0 O-C-N 121.076 -1.015 . . . . 0.0 109.662 173.603 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.76 153.1 79.6 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.951 2.434 . . . . 0.0 111.743 172.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -54.67 -45.63 73.9 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.587 0.218 . . . . 0.0 111.587 -175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.92 -36.13 76.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.179 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -70.51 -40.35 73.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.783 0.325 . . . . 0.0 110.296 175.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 28.9 t -61.08 -43.25 99.17 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -60.2 -37.83 81.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.27 177.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -72.17 -28.48 63.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.1 ttp -90.37 -47.75 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.8 m -83.11 -20.57 34.59 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -172.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.508 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 27.8 t -62.22 -52.93 63.18 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 121.828 -0.545 . . . . 0.0 111.982 178.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.508 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 78.2 Cg_exo -56.02 -21.57 34.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 122.204 1.936 . . . . 0.0 113.101 175.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -75.01 -50.13 17.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 177.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -79.99 -65.71 0.97 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.694 -173.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 58.46 84.89 0.1 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.538 0.524 . . . . 0.0 111.829 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.805 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.227 0.537 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -156.48 75.22 4.65 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.755 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.9 -13.73 28.69 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.336 2.024 . . . . 0.0 112.495 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -84.83 -47.86 9.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.062 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -68.29 -33.39 74.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.329 -178.679 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 5' ' ' GLN . . . -67.36 -37.14 82.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.227 175.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -66.18 -29.9 70.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.835 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.49 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 74.6 t80 -66.71 -42.54 86.22 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.189 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 t -53.96 -53.33 54.37 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.033 0.444 . . . . 0.0 110.372 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.46 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 67.8 m-85 -65.33 -34.51 78.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.323 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.7 tp10 -59.59 -50.6 73.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.284 177.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 24.3 mm-40 -61.07 -27.34 68.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.604 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.469 ' HB3' HG22 ' A' ' 18' ' ' VAL . 59.4 m -61.84 -52.04 65.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.127 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -75.63 -28.0 58.64 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.864 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 11' ' ' GLU . 52.9 t -61.71 -43.02 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.686 175.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -86.0 -78.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.613 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.5 tptt 173.38 86.88 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.076 0.55 . . . . 0.0 109.807 174.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.469 HG22 ' HB3' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -154.66 131.92 6.2 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 121.627 -0.671 . . . . 0.0 110.046 175.051 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.0 150.8 84.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.058 2.506 . . . . 0.0 111.879 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -57.59 -41.07 80.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.405 0.145 . . . . 0.0 111.071 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -58.9 -38.32 78.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.769 0.319 . . . . 0.0 111.363 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -75.16 -41.26 58.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.521 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 10.2 t -62.64 -36.42 82.76 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.165 0.507 . . . . 0.0 109.861 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.4 -32.92 71.78 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.273 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -76.3 -18.25 59.05 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.776 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.4 ttp -90.18 -44.95 9.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.829 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.3 m -106.99 6.29 28.96 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -174.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.633 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 8.0 p -59.88 -43.63 95.18 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.803 168.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.633 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.8 Cg_exo -60.93 -11.13 16.82 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 121.893 1.729 . . . . 0.0 112.498 173.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt -90.31 -70.34 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.97 -72.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.47 -175.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -157.49 149.08 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.244 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.038 -179.59 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.582 0.23 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.407 ' OG ' ' HB2' ' A' ' 5' ' ' GLN . 8.1 t -158.15 70.41 3.97 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -174.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.25 -54.72 4.52 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.912 2.408 . . . . 0.0 113.951 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.66 -43.62 98.35 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.627 0.251 . . . . 0.0 111.56 -175.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.407 ' HB2' ' OG ' ' A' ' 2' ' ' SER . 82.2 mm-40 -69.8 -36.99 76.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.044 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.34 80.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.711 0.291 . . . . 0.0 110.475 175.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -63.73 -35.85 81.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.863 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.7 -40.25 94.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.346 176.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.8 t -64.41 -50.22 68.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.92 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.51 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 49.9 m-85 -65.46 -25.72 67.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.702 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 34.2 tt0 -80.33 -51.61 8.67 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.626 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -78.67 -19.83 51.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.9 p -56.73 -55.86 28.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.679 0.276 . . . . 0.0 110.596 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -74.42 -31.23 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.64 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' GLU . 73.4 t -62.92 -43.88 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.484 0.183 . . . . 0.0 110.525 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 92.8 m-20 -66.22 -74.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 82.2 tttt 175.94 85.1 0.0 OUTLIER 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.516 0.51 . . . . 0.0 110.744 168.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -147.19 143.34 18.04 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 171.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.91 155.11 72.22 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.886 2.391 . . . . 0.0 111.233 169.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -52.54 -43.75 65.37 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.147 0.43 . . . . 0.0 111.63 -177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -57.67 -36.47 71.95 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.737 0.303 . . . . 0.0 110.907 -178.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -71.71 -35.69 70.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.835 0.35 . . . . 0.0 110.713 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.5 t -65.74 -42.71 90.66 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -65.33 -27.34 68.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.467 0.651 . . . . 0.0 110.604 175.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -74.23 -39.63 62.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.346 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 38.2 ttp -91.61 -53.02 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 61.5 m -79.92 -31.09 40.12 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -169.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.443 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 21.4 m -63.59 -46.8 83.46 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -176.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 84.6 Cg_exo -53.95 -31.24 62.47 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 122.016 1.811 . . . . 0.0 112.814 173.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 3.7 tt -64.89 -50.39 66.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.577 0.703 . . . . 0.0 109.105 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' OE2' ' HG2' ' A' ' 32' ' ' ARG . 4.4 tm-20 -72.63 -46.9 51.76 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.838 -173.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.43 ' HG2' ' OE2' ' A' ' 31' ' ' GLU . 12.2 mmm180 -136.07 142.4 44.34 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.392 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.179 0.514 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.424 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 51.6 m -147.61 58.04 3.76 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.577 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.431 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 32.6 Cg_exo -58.81 -66.74 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.056 2.504 . . . . 0.0 114.023 -169.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -61.84 -37.62 85.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.753 0.311 . . . . 0.0 111.248 -175.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -64.35 -41.89 96.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.854 0.359 . . . . 0.0 110.538 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.73 97.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.13 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 3' ' ' PRO . 45.0 mmtm -64.67 -36.87 85.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.53 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -65.01 -41.47 95.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.246 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 t -62.82 -50.99 68.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.223 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.502 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 59.2 m-85 -66.28 -24.82 66.63 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.397 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 15' ' ' VAL . 31.4 tt0 -75.05 -56.77 4.4 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.25 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -73.17 -22.31 60.52 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -170.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 p -58.84 -52.95 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.287 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -79.32 -28.16 42.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.131 -0.227 . . . . 0.0 111.358 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 11' ' ' GLU . 76.7 t -64.15 -34.71 70.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 120.702 0.287 . . . . 0.0 110.643 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 86.6 m-20 -76.63 -74.84 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.86 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 41.3 tptt 175.2 86.28 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.493 0.496 . . . . 0.0 110.098 170.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 m -147.27 144.83 20.2 Favored Pre-proline 0 C--O 1.235 0.339 0 CA-C-N 118.346 0.521 . . . . 0.0 109.784 173.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.46 155.12 71.67 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.876 2.384 . . . . 0.0 111.351 169.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -53.52 -43.53 68.4 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 117.795 0.27 . . . . 0.0 111.228 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -56.89 -38.09 72.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.246 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -68.58 -39.28 81.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.297 . . . . 0.0 110.654 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.6 t -63.69 -41.3 98.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -61.01 -32.2 71.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.96 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -72.35 -34.13 67.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.504 -175.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 56.8 mtm -91.55 -52.39 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.63 -0.428 . . . . 0.0 112.123 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.6 m -78.85 -31.5 45.69 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -168.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.539 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 23.0 m -67.14 -50.31 41.35 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.305 -0.558 . . . . 0.0 112.325 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 72.9 Cg_exo -56.99 -28.31 77.68 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 121.768 1.645 . . . . 0.0 112.523 173.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.79 -60.47 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.39 -54.02 50.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.858 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -156.93 117.14 3.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.658 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.472 ' HB2' ' HA ' ' A' ' 29' ' ' PRO . 3.5 t . . . . . 0 C--N 1.323 -0.581 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.671 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.66 0.267 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 5' ' ' GLN . 6.8 t -155.97 61.11 2.62 Favored Pre-proline 0 C--N 1.327 -0.394 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.533 -178.521 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.83 -43.99 47.92 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.01 2.473 . . . . 0.0 114.062 -177.065 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -70.4 -47.5 60.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.819 0.342 . . . . 0.0 111.182 -175.617 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.43 ' HB2' ' OG ' ' A' ' 2' ' ' SER . 27.6 mt-30 -70.17 -34.94 73.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.885 -179.302 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.98 99.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.173 175.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -64.12 -37.14 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.014 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -66.8 -39.13 87.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.022 176.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.4 t -64.36 -54.19 36.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.425 -179.098 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.7 m-85 -65.69 -30.15 70.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 -179.142 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -69.25 -60.95 2.01 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.147 0.498 . . . . 0.0 110.169 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -76.89 -20.19 56.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 -171.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 31.3 p -54.81 -58.9 5.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 118.07 0.396 . . . . 0.0 111.137 -175.543 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.402 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 17.9 p-10 -72.42 -28.06 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.393 179.245 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.56 -44.27 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 79.8 m-20 -63.26 -73.22 0.12 Allowed 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.256 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.2 tttt 175.25 85.4 0.0 OUTLIER 'General case' 0 C--O 1.231 0.128 0 O-C-N 123.672 0.607 . . . . 0.0 110.233 165.508 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -146.57 142.53 17.45 Favored Pre-proline 0 C--O 1.236 0.376 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 21.2 Cg_exo -66.58 154.87 72.82 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.798 2.332 . . . . 0.0 111.308 169.363 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -54.44 -43.08 71.3 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.271 0.487 . . . . 0.0 111.707 -174.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.533 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 7.3 p-10 -59.58 -39.05 82.88 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.671 0.272 . . . . 0.0 110.689 -178.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -65.98 -38.39 88.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.926 0.393 . . . . 0.0 110.334 175.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 23.9 t -63.23 -42.11 99.19 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.723 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.4 -28.21 69.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.509 177.406 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 78.1 mt-30 -69.6 -40.82 76.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.907 0.384 . . . . 0.0 110.345 -178.481 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.9 ttp -90.74 -51.23 5.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.197 -175.417 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.6 m -77.6 -30.1 52.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -169.435 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.467 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 66.6 m -63.28 -48.7 82.3 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 72.3 Cg_exo -55.18 -36.27 92.84 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.923 1.749 . . . . 0.0 112.687 172.829 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.479 ' O ' HD23 ' A' ' 30' ' ' LEU . 4.0 tt -63.4 -45.48 90.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.602 0.715 . . . . 0.0 109.43 176.745 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -76.6 -38.05 55.46 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.993 -173.438 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.52 ' HA ' ' HE ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -149.4 124.55 10.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.662 0.267 . . . . 0.0 111.16 -177.693 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.862 173.993 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -164.72 72.99 1.54 Allowed Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -52.72 -28.22 36.99 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.913 2.409 . . . . 0.0 113.286 -179.728 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -71.88 -44.97 62.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.062 -178.669 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -67.71 -31.71 71.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.145 0.498 . . . . 0.0 110.164 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.99 82.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.246 175.031 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -64.64 -35.58 81.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.959 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -62.66 -41.52 99.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.018 0.437 . . . . 0.0 110.141 176.149 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 t -62.59 -50.47 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.129 179.665 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -68.27 -32.09 72.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.505 -179.725 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 15' ' ' VAL . 34.3 tt0 -68.96 -52.84 24.79 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.277 178.111 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -75.23 -21.96 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -172.067 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.452 ' O ' HG13 ' A' ' 18' ' ' VAL . 26.1 p -58.17 -56.76 17.89 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.761 -174.52 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.403 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 21.1 p30 -75.17 -27.21 59.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.21 -0.307 . . . . 0.0 111.784 178.542 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 11' ' ' GLU . 52.5 t -61.39 -41.52 90.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 177.238 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 80.3 m-20 -73.28 -75.56 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.984 178.589 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.7 tttt 174.61 85.69 0.0 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.554 0.534 . . . . 0.0 110.014 174.397 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER -150.35 143.22 16.3 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-N 118.367 0.531 . . . . 0.0 109.758 174.501 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.31 155.15 70.31 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 123.06 2.507 . . . . 0.0 111.788 170.748 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -51.48 -43.85 62.28 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 117.61 0.186 . . . . 0.0 111.428 -178.249 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -58.87 -39.81 82.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.826 -0.17 . . . . 0.0 111.222 -178.679 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.536 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 51.5 tt0 -70.52 -36.86 73.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.689 0.28 . . . . 0.0 110.512 176.698 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 t -61.61 -45.1 95.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.439 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.12 -40.19 95.66 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.735 178.012 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 11.2 pt20 -69.01 -28.08 66.27 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.93 0.395 . . . . 0.0 110.749 -173.615 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.4 ttp -91.1 -50.3 5.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.8 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.94 -26.55 31.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -171.142 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.46 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 25.2 t -63.35 -49.02 81.15 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.902 -179.015 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 83.1 Cg_exo -52.87 -27.68 35.93 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 121.991 1.794 . . . . 0.0 112.904 175.064 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -75.65 -62.56 1.54 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 176.467 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -59.6 -38.97 82.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.27 -174.415 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.629 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.1 mmp_? -104.39 104.24 14.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.826 0.346 . . . . 0.0 110.389 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.131 178.421 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.561 0.22 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 10.6 t -163.75 70.9 1.78 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.551 0.215 . . . . 0.0 110.733 -178.634 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.56 -16.66 56.39 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.919 1.746 . . . . 0.0 112.374 177.315 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -71.98 -38.23 69.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.052 -176.831 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 2' ' ' SER . 25.9 pt20 -65.33 -30.06 70.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.041 0.448 . . . . 0.0 110.542 -179.744 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.97 87.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.183 175.691 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -64.09 -37.69 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.758 177.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.61 -43.12 99.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.294 177.279 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.82 -50.06 75.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.932 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.735 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.2 m-85 -68.07 -38.76 82.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.933 -178.842 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 15' ' ' VAL . 29.5 tt0 -69.31 -39.46 78.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.848 -175.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -74.62 -19.57 60.25 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.289 -0.257 . . . . 0.0 111.347 -178.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.598 ' HB3' HG22 ' A' ' 18' ' ' VAL . 34.8 m -54.35 -53.79 49.18 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.186 0.304 . . . . 0.0 111.699 179.339 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -78.98 -27.77 43.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.679 0.276 . . . . 0.0 110.877 -178.542 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.4 t -62.61 -36.36 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.197 175.735 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.591 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 74.5 m-20 -81.33 -79.13 0.17 Allowed 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 119.866 -0.733 . . . . 0.0 109.533 176.284 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 67.9 tttt 170.87 85.86 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.653 0.595 . . . . 0.0 109.892 168.649 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -148.8 147.22 23.79 Favored Pre-proline 0 N--CA 1.471 0.59 0 CA-C-N 119.078 0.854 . . . . 0.0 109.976 176.161 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.491 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.0 Cg_exo -64.38 144.19 84.96 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.896 2.398 . . . . 0.0 110.986 171.822 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -59.71 -37.61 79.34 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.46 -175.225 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.53 -37.09 85.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.252 . . . . 0.0 110.897 178.658 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.496 ' O ' ' HB3' ' A' ' 25' ' ' GLN . 45.4 tt0 -66.78 -34.77 78.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.38 . . . . 0.0 110.025 173.376 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.735 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 18.6 t -63.92 -42.38 97.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.316 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -57.9 -36.06 71.9 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.589 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.496 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 41.1 tt0 -63.63 -43.86 95.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.008 0.432 . . . . 0.0 110.739 -178.825 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 44.1 ttp -84.69 -42.96 14.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.305 -174.193 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 60.2 m -84.26 -13.35 52.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -173.417 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.69 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.4 p -62.47 -49.98 81.0 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -178.273 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.69 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 54.7 Cg_exo -56.07 -30.98 81.05 Favored 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 121.892 1.728 . . . . 0.0 112.652 178.727 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.37 -60.14 3.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.158 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -62.56 -44.65 95.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.779 -174.448 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -132.49 122.5 24.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.764 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.287 -176.426 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -157.63 66.0 3.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.013 177.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -51.71 -40.42 65.11 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.0 2.467 . . . . 0.0 113.829 -176.267 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -65.79 -40.25 91.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.618 0.247 . . . . 0.0 111.034 -176.487 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -65.35 -39.68 92.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.109 0.48 . . . . 0.0 110.418 178.272 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.43 98.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.588 177.885 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.7 -36.78 85.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.091 -179.521 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -65.88 -41.93 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.308 177.086 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.5 t -60.02 -50.01 75.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.266 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -65.32 -39.28 92.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.551 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -63.8 -44.6 92.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 0.0 110.795 -178.347 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -72.48 -19.01 61.62 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.345 -176.637 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.1 m -55.67 -57.09 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.25 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.583 -178.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.01 -37.41 79.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.565 178.557 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.491 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.6 m120 -87.66 -77.55 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.594 -179.849 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 54.9 tttm 173.12 85.71 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.527 0.517 . . . . 0.0 110.214 171.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -162.38 124.85 1.71 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 121.615 -0.678 . . . . 0.0 111.107 175.423 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.25 148.83 68.07 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.332 2.688 . . . . 0.0 112.877 178.83 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -53.75 -46.76 70.99 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.067 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -64.45 -41.32 96.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.553 0.216 . . . . 0.0 111.044 -175.869 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.5 -34.96 75.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 109.919 176.102 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 t -59.33 -41.74 89.84 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.92 174.272 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -55.39 -35.71 65.6 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.3 176.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -71.62 -26.24 62.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.957 -175.301 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 49.9 ttp -90.81 -48.57 6.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.28 178.063 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.7 m -78.15 -25.6 47.36 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -173.762 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.509 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 13.8 t -61.17 -49.07 89.96 Favored Pre-proline 0 CA--C 1.539 0.533 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.604 -179.49 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 81.0 Cg_exo -52.49 -32.43 52.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.279 1.986 . . . . 0.0 113.232 174.574 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 30' ' ' LEU . 3.4 tt -67.34 -48.47 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 176.248 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -75.68 -70.67 0.42 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.337 -173.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.606 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 1.8 mmp_? -157.0 108.78 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.434 0.294 . . . . 0.0 110.987 -179.845 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.496 ' HB2' ' HA ' ' A' ' 29' ' ' PRO . 64.0 m . . . . . 0 C--N 1.325 -0.461 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 173.39 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -163.31 72.39 1.92 Allowed Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.398 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -54.25 -20.97 21.11 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.832 2.355 . . . . 0.0 113.102 178.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -65.74 -30.43 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.539 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -64.34 -37.2 86.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.236 0.541 . . . . 0.0 110.163 177.295 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.67 95.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.312 177.55 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -67.45 -35.65 79.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.269 -178.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.575 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 78.3 t80 -65.7 -41.71 92.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.438 . . . . 0.0 110.198 175.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.47 -47.57 85.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.988 177.661 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.567 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 40.4 m-85 -70.94 -20.97 62.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.133 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 5.9 pt-20 -82.99 -45.83 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.656 179.744 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.46 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 21.9 mm-40 -80.03 -25.89 40.02 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -174.666 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.8 p -56.1 -49.92 72.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.639 0.257 . . . . 0.0 111.202 -175.019 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -72.51 -29.33 63.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.556 0.217 . . . . 0.0 111.386 178.308 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 11' ' ' GLU . 71.6 t -68.59 -36.99 77.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.391 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -73.32 -77.48 0.1 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.705 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.46 85.02 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.602 0.564 . . . . 0.0 110.502 171.356 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -150.35 148.34 23.97 Favored Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 121.179 -0.951 . . . . 0.0 110.166 176.644 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 18' ' ' VAL . 49.0 Cg_endo -73.57 153.75 49.55 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.724 2.283 . . . . 0.0 111.412 171.016 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.84 -42.68 68.75 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 117.981 0.355 . . . . 0.0 111.375 -176.071 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -58.59 -41.8 86.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.075 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.23 -37.34 83.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.248 176.021 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 22.7 t -61.04 -43.47 98.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.564 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -62.22 -37.09 84.05 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.265 177.045 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -66.33 -40.75 90.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -176.365 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.8 ttp -81.57 -40.68 22.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.746 -176.451 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.2 m -84.15 -16.99 41.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.071 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.709 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.1 p -63.0 -51.89 67.41 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -177.549 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.709 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -59.64 -20.92 60.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 C-N-CA 121.876 1.717 . . . . 0.0 112.595 178.168 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 tt -73.5 -55.78 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.064 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -67.25 -44.38 79.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.118 -177.338 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' HB2' ' HE ' ' A' ' 32' ' ' ARG . 2.7 tpp180 -137.92 102.81 4.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.325 -176.363 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.302 178.308 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.588 0.232 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -164.37 74.54 1.62 Allowed Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.072 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -54.46 -30.49 64.33 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.538 2.159 . . . . 0.0 113.26 -179.422 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -72.18 -41.35 67.1 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.209 -0.197 . . . . 0.0 111.355 -175.687 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -70.16 -35.83 74.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.106 0.479 . . . . 0.0 110.193 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.81 83.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.251 177.188 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -64.46 -35.15 80.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.113 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.92 -40.25 91.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.285 176.585 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.9 t -61.38 -48.82 79.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.343 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -69.85 -23.08 63.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.413 179.484 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.2 tp10 -73.16 -62.91 1.3 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.11 0.481 . . . . 0.0 110.303 179.09 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -74.28 -18.65 60.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.472 -170.796 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 22.7 p -56.66 -57.37 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.47 0.176 . . . . 0.0 110.83 -175.731 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.417 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 3.3 p-10 -76.29 -28.56 57.06 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 121.106 -0.237 . . . . 0.0 111.194 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 11' ' ' GLU . 77.3 t -61.74 -42.93 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.469 178.866 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 83.2 m-20 -71.83 -74.4 0.16 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.014 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.574 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 177.37 83.91 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 O-C-N 123.639 0.587 . . . . 0.0 111.188 166.738 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.22 143.11 16.24 Favored Pre-proline 0 N--CA 1.464 0.255 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 171.151 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.62 152.77 80.59 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.805 2.336 . . . . 0.0 111.54 172.925 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -58.84 -38.63 79.14 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -178.086 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -61.76 -31.24 71.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.998 0.428 . . . . 0.0 110.242 178.02 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -75.17 -38.13 60.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.99 175.109 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 61.1 m -55.29 -42.77 74.05 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.389 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -58.97 -40.71 85.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.812 -179.532 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -73.47 -26.3 60.86 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.535 -173.335 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.1 ttp -91.63 -48.88 6.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.81 0.338 . . . . 0.0 111.546 177.638 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.9 m -83.43 -31.94 26.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -170.408 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.514 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 74.8 m -64.07 -51.94 59.28 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.03 -179.072 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.514 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 80.2 Cg_exo -52.63 -43.39 55.64 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.0 1.8 . . . . 0.0 112.106 172.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -51.46 -55.68 17.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.455 175.624 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.34 -38.1 81.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.664 -173.76 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.428 ' HA ' ' HE ' ' A' ' 32' ' ' ARG . 3.2 mmp_? -125.89 80.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.052 0.453 . . . . 0.0 111.306 -175.895 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.816 173.304 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.757 0.313 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -152.67 74.2 7.2 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.996 -178.646 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.07 -36.27 54.02 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.88 2.387 . . . . 0.0 113.727 -176.663 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -66.38 -37.27 84.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 0.0 110.981 -177.558 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -68.98 -44.53 72.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.403 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.53 -43.82 96.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.446 177.769 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -66.91 -33.33 75.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.12 -177.905 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -69.15 -42.54 75.8 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.274 177.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.5 t -61.64 -47.19 86.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.253 178.828 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.592 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.8 m-85 -71.42 -18.91 62.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.628 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 15' ' ' VAL . 27.9 tp10 -74.54 -64.07 1.11 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.334 0.587 . . . . 0.0 110.331 177.793 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.404 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 20.6 mm-40 -70.97 -18.46 62.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.226 -169.362 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 31.6 p -61.58 -57.03 13.68 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.762 -176.693 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.407 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.1 p-10 -73.31 -28.66 62.21 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.452 -0.155 . . . . 0.0 111.352 178.356 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 11' ' ' GLU . 64.7 t -62.31 -36.08 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.482 178.141 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.445 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 80.2 m-20 -76.92 -76.62 0.16 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.392 176.224 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.586 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.99 86.38 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.669 0.605 . . . . 0.0 110.456 167.073 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -142.91 142.32 21.93 Favored Pre-proline 0 C--O 1.237 0.406 0 O-C-N 121.074 -1.016 . . . . 0.0 109.951 174.127 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -62.08 153.27 70.33 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.933 2.422 . . . . 0.0 111.519 171.623 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -55.72 -43.25 76.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.806 0.276 . . . . 0.0 111.457 -175.76 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.72 -38.66 85.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.5 0.191 . . . . 0.0 110.973 -178.751 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.584 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 45.2 tt0 -68.04 -37.86 81.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 110.082 176.366 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.592 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 31.1 t -62.08 -43.08 99.61 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.82 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -62.8 -40.96 98.97 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.394 176.875 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 5.0 pt20 -69.62 -28.53 66.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.637 0.256 . . . . 0.0 111.012 -172.317 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.468 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 31.5 ttp -86.86 -43.65 12.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.653 0.263 . . . . 0.0 111.327 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.0 m -83.42 -8.4 59.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -176.7 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.71 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 14.6 p -62.19 -49.78 83.01 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.71 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.3 Cg_exo -59.68 -11.49 14.64 Favored 'Trans proline' 0 C--N 1.361 1.209 0 C-N-CA 122.118 1.878 . . . . 0.0 112.801 178.345 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -90.44 -63.49 1.27 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.159 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -80.2 -63.71 1.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.165 -171.527 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.9 113.33 20.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.511 0.672 . . . . 0.0 111.83 -174.599 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.412 ' OG ' ' HA ' ' A' ' 29' ' ' PRO . 60.8 m . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.327 176.236 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.439 0.161 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.431 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 7.9 t 178.64 75.66 0.14 Allowed Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.009 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.27 -32.27 60.06 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.626 2.217 . . . . 0.0 113.338 -176.786 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -64.11 -46.04 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.265 -177.766 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.2 pt20 -68.17 -31.26 70.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.962 0.411 . . . . 0.0 110.588 -176.601 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -39.96 81.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.128 176.101 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -63.06 -35.59 80.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.014 178.349 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -61.72 -43.98 97.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.523 177.274 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.4 t -61.98 -46.24 90.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.044 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.548 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 46.8 m-85 -68.88 -36.61 78.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.837 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.539 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.3 tt0 -72.57 -39.86 67.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.68 -178.111 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -64.39 -23.3 67.24 Favored 'General case' 0 CA--C 1.521 -0.137 0 O-C-N 122.265 -0.272 . . . . 0.0 110.551 177.341 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.539 ' HB3' HG22 ' A' ' 18' ' ' VAL . 53.4 m -59.55 -49.91 75.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.243 178.348 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.22 -28.6 38.56 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.98 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 11' ' ' GLU . 68.8 t -62.15 -51.12 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.62 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.545 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 79.1 m-20 -75.82 -78.91 0.11 Allowed 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.065 -177.645 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 55.0 tttm 171.55 86.61 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.97 0.508 . . . . 0.0 110.649 167.755 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.539 HG22 ' HB3' ' A' ' 13' ' ' CYS . 1.5 m -145.0 140.53 16.27 Favored Pre-proline 0 C--O 1.236 0.353 0 O-C-N 121.521 -0.737 . . . . 0.0 110.053 174.084 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 18' ' ' VAL . 29.3 Cg_exo -61.53 144.52 97.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.953 2.435 . . . . 0.0 111.033 173.49 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -60.91 -37.25 81.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.709 -175.671 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.74 -37.12 85.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.907 0.384 . . . . 0.0 110.318 178.513 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -70.37 -37.71 74.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.201 174.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.9 t -63.44 -38.9 92.93 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.088 0.47 . . . . 0.0 110.015 178.483 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -62.28 -24.43 67.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.858 176.146 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -79.9 -31.7 40.25 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.74 -179.662 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 45.0 ttp -90.29 -49.12 6.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.039 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.1 m -87.37 -11.75 48.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -170.753 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.649 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 77.2 p -65.16 -45.56 72.2 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.769 -178.29 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.649 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.6 Cg_exo -60.05 -15.73 35.29 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 121.882 1.722 . . . . 0.0 112.966 177.551 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' O ' HD23 ' A' ' 30' ' ' LEU . 4.1 tt -74.49 -49.77 20.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.921 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -80.06 -70.33 0.53 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.922 -175.175 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -151.1 128.16 11.11 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.285 176.807 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.322 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.976 0.417 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.561 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 9.1 t -155.14 68.9 5.48 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.945 -177.613 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.39 -20.2 39.01 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.603 2.202 . . . . 0.0 113.486 -179.174 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -73.33 -37.01 66.28 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.354 -0.216 . . . . 0.0 111.235 178.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 2' ' ' SER . 1.8 pt20 -63.52 -26.83 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.15 0.5 . . . . 0.0 110.167 -179.685 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.36 91.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.41 176.322 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -64.98 -32.21 73.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.059 178.721 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -69.25 -41.56 76.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.119 177.463 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -62.37 -49.74 74.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.253 178.391 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.0 m-85 -68.52 -18.93 64.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.738 -178.808 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.2 tp10 -83.32 -62.22 1.64 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.296 176.435 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.442 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 23.4 mm-40 -66.06 -20.22 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.343 -172.692 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 26.0 p -57.46 -53.39 58.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.842 0.354 . . . . 0.0 110.233 178.795 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.413 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 15.1 m120 -74.05 -31.62 62.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.912 178.807 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 11' ' ' GLU . 87.1 t -63.69 -38.16 81.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.164 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.48 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 78.8 m-20 -72.88 -76.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.883 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 87.8 tttt 174.09 85.94 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.114 0 O-C-N 123.398 0.436 . . . . 0.0 110.092 171.465 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 13' ' ' CYS . 2.0 m -145.93 142.29 17.65 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 121.718 -0.614 . . . . 0.0 110.216 175.699 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -67.13 155.86 68.85 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.029 2.486 . . . . 0.0 111.633 169.277 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -49.46 -45.99 47.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.968 0.349 . . . . 0.0 111.659 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.14 -36.18 72.6 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.885 0.374 . . . . 0.0 110.71 -178.256 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -71.22 -41.6 69.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.263 176.731 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.9 t -61.0 -45.7 93.76 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.564 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -62.32 -43.97 97.58 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.454 177.407 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -23.26 63.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.951 -170.586 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.5 ttp -90.33 -46.92 8.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.521 177.065 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 37.8 m -83.57 -21.79 32.54 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -172.72 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.637 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 63.2 p -62.64 -43.85 84.95 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.541 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 62.0 Cg_exo -57.96 -23.94 62.58 Favored 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 121.869 1.713 . . . . 0.0 112.678 174.151 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tt -81.31 -59.98 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.77 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -63.48 -45.05 92.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.856 -174.498 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -118.48 80.34 1.52 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.251 0.548 . . . . 0.0 109.754 -177.822 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.678 -178.699 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.596 0.236 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.494 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 68.2 m -151.53 55.63 1.69 Allowed Pre-proline 0 CA--C 1.538 0.496 0 C-N-CA 121.189 -0.204 . . . . 0.0 111.347 179.466 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 2' ' ' SER . 37.8 Cg_exo -57.01 -51.79 8.11 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.787 2.325 . . . . 0.0 114.353 -174.596 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.65 -48.07 80.95 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -172.675 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -59.86 -40.21 87.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.992 0.425 . . . . 0.0 110.729 178.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.444 ' O ' ' HD2' ' A' ' 10' ' ' TYR . . . -66.38 -41.5 89.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.573 178.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -63.46 -34.47 77.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.213 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -65.68 -43.08 90.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.148 177.241 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.81 -52.45 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.157 176.07 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.583 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 40.1 m-85 -61.15 -27.05 68.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.516 -179.203 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -68.27 -58.86 3.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.098 0.475 . . . . 0.0 110.513 175.825 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.76 -23.49 39.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -171.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 30.4 p -58.1 -54.84 42.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.012 0.369 . . . . 0.0 111.444 -174.229 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.07 -28.24 67.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.785 0.326 . . . . 0.0 111.006 178.133 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.73 -41.64 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.758 179.029 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 75.2 m-20 -70.89 -75.01 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.17 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.548 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 177.61 84.28 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.494 171.363 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -151.38 140.62 13.82 Favored Pre-proline 0 C--O 1.235 0.327 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 171.661 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.471 ' HD2' ' OE1' ' A' ' 22' ' ' GLN . 23.5 Cg_exo -64.34 150.89 87.44 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.759 2.306 . . . . 0.0 111.485 171.073 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -55.34 -43.76 75.27 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 121.278 -0.169 . . . . 0.0 111.347 -177.462 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.06 -31.41 72.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.756 0.312 . . . . 0.0 110.773 -178.363 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.471 ' OE1' ' HD2' ' A' ' 19' ' ' PRO . 45.2 tt0 -73.0 -38.89 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.139 175.421 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.583 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.6 t -63.29 -41.18 98.95 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.608 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 11.0 t80 -63.29 -36.16 82.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.085 175.777 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -68.69 -35.72 77.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.816 -173.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.4 ttp -89.84 -50.29 6.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.265 -175.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.03 4.49 39.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -168.876 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.539 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 22.8 t -68.1 -49.3 35.58 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 119.516 -0.873 . . . . 0.0 110.438 168.254 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 51.7 Cg_exo -59.35 -22.41 65.4 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.15 1.9 . . . . 0.0 112.929 174.731 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 30' ' ' LEU . 5.6 tt -60.55 -46.88 88.56 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.305 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.71 -71.61 0.47 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.322 -179.37 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -156.05 126.31 6.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.288 -178.737 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 172.297 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.745 0.307 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.42 ' OG ' ' HB2' ' A' ' 5' ' ' GLN . 18.0 t -172.56 73.38 0.44 Allowed Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -178.471 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.11 -41.64 40.63 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.056 2.504 . . . . 0.0 113.945 -175.298 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -73.63 -45.98 49.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.424 -175.61 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.42 ' HB2' ' OG ' ' A' ' 2' ' ' SER . 73.2 mm-40 -68.66 -34.0 74.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.862 0.363 . . . . 0.0 110.708 178.879 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.1 96.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.461 176.078 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -63.93 -35.64 81.33 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.435 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 79.0 t80 -64.48 -43.07 95.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.181 176.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t -56.21 -49.77 73.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.748 179.056 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.563 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 71.3 m-85 -70.69 -35.51 72.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.549 -179.27 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 15' ' ' VAL . 46.0 tt0 -64.86 -42.35 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.08 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 32.4 mm-40 -70.87 -20.09 62.56 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.971 -177.355 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.2 m -60.2 -56.34 22.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.958 177.536 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -71.66 -28.02 63.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.771 -178.252 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 11' ' ' GLU . 48.0 t -58.66 -40.03 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.725 176.399 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 42.0 m-80 -86.38 -76.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.401 177.751 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.8 tttt 175.28 85.86 0.0 OUTLIER 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.533 0.52 . . . . 0.0 110.155 171.226 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -161.06 127.34 2.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.196 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.28 154.06 60.93 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.307 2.671 . . . . 0.0 112.845 176.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -54.94 -46.61 75.0 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.567 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.4 -40.09 93.1 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.916 0.389 . . . . 0.0 110.666 -177.8 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -70.12 -33.49 71.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.326 176.628 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.7 t -64.81 -38.73 91.97 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.652 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -59.33 -34.43 72.33 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.247 174.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.88 -41.4 95.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.863 0.363 . . . . 0.0 110.256 -178.313 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.435 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 44.5 ttp -88.55 -38.22 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.133 -177.834 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.5 t -89.59 -1.07 57.92 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -174.014 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.566 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.2 p -56.13 -41.32 90.43 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.007 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.566 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 78.7 Cg_exo -55.0 -21.91 28.73 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 122.239 1.959 . . . . 0.0 113.468 174.033 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tt -90.5 -70.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.409 . . . . 0.0 109.977 -178.754 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -77.36 -71.97 0.38 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.002 -173.534 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -153.66 139.99 18.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.883 -176.055 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.32 -0.714 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.855 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 t -173.36 84.41 0.39 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.131 -177.426 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.74 -28.05 64.7 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.11 1.873 . . . . 0.0 112.519 178.653 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -65.89 -44.0 86.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.939 -177.953 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.32 -36.93 82.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.731 -178.576 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.67 99.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.447 177.107 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -68.51 -26.58 65.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.288 0.566 . . . . 0.0 110.114 -179.216 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.435 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 85.1 t80 -73.82 -43.5 58.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.513 175.675 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.44 -47.48 85.91 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.507 -179.335 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -70.08 -21.92 63.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.807 -178.885 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.5 tt0 -77.83 -58.58 3.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.156 0.503 . . . . 0.0 110.014 176.204 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.452 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 84.5 mm-40 -70.52 -18.35 62.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.285 -171.745 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.0 p -60.82 -54.42 45.37 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.498 -177.708 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -75.45 -29.07 59.55 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.26 178.344 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 11' ' ' GLU . 69.8 t -66.65 -34.86 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.318 . . . . 0.0 110.403 178.687 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.489 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 25.1 t-20 -75.02 -74.99 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.007 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 40.0 mttt 174.18 84.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.843 0.857 . . . . 0.0 110.1 170.45 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -149.87 144.15 17.4 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 118.543 0.611 . . . . 0.0 109.677 174.707 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.5 Cg_exo -66.66 154.39 74.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.703 2.269 . . . . 0.0 111.31 170.508 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -54.97 -42.8 72.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 118.165 0.439 . . . . 0.0 111.404 -176.746 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.4 p-10 -57.41 -44.4 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.965 179.547 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -65.53 -36.3 83.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.756 0.312 . . . . 0.0 110.583 176.255 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.44 -43.08 93.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.947 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -64.68 -37.79 88.79 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 175.464 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 95.4 mt-30 -63.88 -41.61 97.71 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.049 0.452 . . . . 0.0 110.281 -176.116 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 49.8 ttp -83.14 -43.53 16.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.943 -174.743 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.9 m -84.5 -16.07 43.72 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -173.49 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.637 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.9 p -61.49 -46.97 94.41 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -177.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 59.0 Cg_exo -57.27 -18.58 30.92 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 122.065 1.843 . . . . 0.0 113.385 178.645 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -80.21 -60.48 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.619 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -76.15 -60.96 2.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.412 -175.435 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -109.11 86.91 2.37 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.341 -171.437 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.321 -0.649 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.713 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.673 0.273 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.64 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 6.9 t -161.33 69.14 2.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.16 -25.39 54.99 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.287 1.991 . . . . 0.0 113.53 -177.502 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -69.82 -36.36 75.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.478 -177.907 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 2' ' ' SER . 23.5 pt20 -65.32 -34.16 77.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.021 0.439 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.29 68.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.383 177.131 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 26.7 tptp -64.99 -36.36 84.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.088 -179.463 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -63.18 -41.22 99.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.27 176.602 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.92 -49.53 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.605 -178.803 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -67.98 -28.29 67.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.661 0.267 . . . . 0.0 111.368 -179.67 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -74.96 -56.41 4.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.898 0.38 . . . . 0.0 110.48 178.445 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.444 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 20.5 mm-40 -72.62 -19.0 61.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -173.086 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 19.5 p -57.76 -54.3 48.41 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.466 -176.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.419 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.3 p-10 -75.68 -29.23 58.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 178.131 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 11' ' ' GLU . 72.0 t -64.06 -41.42 92.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.637 0.256 . . . . 0.0 110.47 178.757 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 84.4 m-20 -71.06 -74.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.172 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 64.9 tttp 173.11 85.95 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.197 0.599 . . . . 0.0 110.189 167.065 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -147.5 147.1 26.88 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-N 118.711 0.687 . . . . 0.0 109.502 173.456 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.01 153.88 73.46 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.725 2.283 . . . . 0.0 111.258 170.447 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -58.01 -38.87 76.96 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.701 0.228 . . . . 0.0 111.262 -178.313 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.62 -34.57 74.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.352 177.673 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -70.27 -37.89 74.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.108 175.799 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.9 m -56.79 -43.87 81.33 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.868 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' SER . 36.1 t80 -64.93 -34.48 78.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -72.48 -34.56 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.919 0.39 . . . . 0.0 110.962 -176.334 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.4 ttp -91.09 -50.18 5.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.067 -178.681 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.1 m -82.26 -34.24 28.84 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -169.685 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.468 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 51.0 m -63.17 -48.58 83.23 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -176.299 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.468 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 84.5 Cg_exo -52.94 -40.78 74.86 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.95 1.767 . . . . 0.0 112.582 172.564 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.98 -59.5 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.61 0.719 . . . . 0.0 109.093 175.207 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -58.24 -57.36 13.22 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.626 -173.052 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.53 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.2 mmp_? -148.46 122.89 9.7 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.83 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.437 ' HB2' ' HA ' ' A' ' 29' ' ' PRO . 2.9 t . . . . . 0 C--N 1.323 -0.562 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.824 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.715 0.293 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -174.15 57.73 0.2 Allowed Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 -177.678 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -58.46 -40.64 72.89 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.35 2.034 . . . . 0.0 113.327 -173.953 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -65.97 -43.16 88.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.553 -177.467 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -68.24 -37.5 80.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.444 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.12 97.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 177.218 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -66.72 -34.83 78.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.827 0.346 . . . . 0.0 110.211 -178.541 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -64.43 -40.99 96.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.113 176.893 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.9 t -61.78 -48.2 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.488 179.887 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.654 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 66.7 m-85 -71.14 -27.8 63.82 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.769 -179.026 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.7 OUTLIER -70.84 -57.07 4.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.124 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -77.68 -19.32 55.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -169.866 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.4 p -60.69 -58.51 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.665 -176.919 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -69.59 -26.87 64.67 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.207 -0.197 . . . . 0.0 111.283 179.238 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 11' ' ' GLU . 57.0 t -63.44 -40.2 88.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 177.561 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.476 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 77.0 m-20 -69.53 -73.72 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.852 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 60.6 tttm 175.44 85.17 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 O-C-N 123.733 0.646 . . . . 0.0 110.136 169.275 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -150.07 140.01 13.65 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 118.468 0.577 . . . . 0.0 109.948 175.073 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.99 154.58 72.37 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.989 2.459 . . . . 0.0 111.697 170.586 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -53.24 -44.19 67.92 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.975 0.352 . . . . 0.0 111.675 -174.693 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -61.09 -35.87 78.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -178.162 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -70.65 -38.77 73.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.869 0.366 . . . . 0.0 110.283 174.1 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.654 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.0 t -60.51 -46.03 91.65 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.336 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -58.53 -37.04 74.82 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.152 176.421 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -63.99 -41.4 97.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.805 0.335 . . . . 0.0 110.762 -175.487 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.497 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 32.6 ttp -83.02 -43.21 16.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.653 -177.82 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.7 m -81.13 -16.89 51.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.218 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.652 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.4 p -57.97 -49.08 95.64 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.788 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.652 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 80.7 Cg_exo -53.73 -28.76 48.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 122.127 1.885 . . . . 0.0 112.988 177.803 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tt -80.3 -57.42 3.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.507 179.371 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -71.14 -27.56 63.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.977 -173.14 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -139.71 116.01 10.53 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -177.437 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 C--N 1.322 -0.628 0 C-N-CA 121.174 -0.211 . . . . 0.0 110.53 -176.715 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.974 0.416 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.521 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 8.2 t -173.26 67.51 0.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.819 -179.078 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.83 -28.22 47.19 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.482 2.122 . . . . 0.0 112.61 179.399 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.55 -38.24 83.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.463 -179.891 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.4 pt20 -65.38 -34.54 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.948 0.404 . . . . 0.0 110.502 -177.344 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.03 -41.28 64.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.432 176.719 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.68 -36.8 84.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.092 179.347 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -65.88 -41.87 91.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.593 178.02 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -61.25 -45.13 95.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.376 -178.306 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.403 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.1 m-85 -78.02 -25.18 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.273 -177.757 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 15' ' ' VAL . 42.2 tt0 -75.48 -50.86 14.46 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.083 179.667 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -80.93 -20.95 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -170.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 p -55.92 -57.07 13.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.646 0.26 . . . . 0.0 111.234 -175.615 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -70.12 -28.73 65.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.191 178.917 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' GLU . 79.3 t -64.48 -39.17 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.526 179.246 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 67.6 m-20 -69.74 -75.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.576 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 177.45 84.23 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.495 169.575 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -149.54 141.12 14.73 Favored Pre-proline 0 C--O 1.235 0.317 0 O-C-N 121.438 -0.789 . . . . 0.0 109.688 175.431 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.98 154.39 73.57 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.765 2.31 . . . . 0.0 111.213 169.239 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -56.17 -43.95 78.85 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 118.37 0.532 . . . . 0.0 111.653 -175.513 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -60.2 -34.43 73.62 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.754 0.311 . . . . 0.0 110.78 -179.657 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -70.28 -38.17 74.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.385 174.837 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 49.3 t -60.72 -45.81 92.81 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 177.132 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -61.02 -37.49 82.75 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.067 176.412 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -64.02 -35.24 80.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 -175.18 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.464 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 24.3 ttp -85.75 -45.35 11.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.785 -179.119 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.9 m -85.03 -6.89 59.31 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -173.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.595 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.1 p -60.65 -47.76 95.14 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.192 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.595 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 85.7 Cg_exo -53.48 -28.5 45.03 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.866 1.711 . . . . 0.0 112.257 174.853 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -81.14 -66.55 0.87 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.614 -178.851 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.47 -72.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.001 -174.578 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -158.5 127.47 5.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.884 0.373 . . . . 0.0 110.554 -178.596 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.503 ' HA ' ' HB2' ' A' ' 28' ' ' SER . 1.8 p . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.281 179.002 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.401 ' OG ' ' HB2' ' A' ' 5' ' ' GLN . 8.1 t -165.39 61.75 0.79 Allowed Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -178.436 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -50.49 -48.73 19.05 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.258 2.639 . . . . 0.0 114.331 -173.52 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -67.85 -46.63 71.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.736 0.303 . . . . 0.0 111.328 -175.812 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.401 ' HB2' ' OG ' ' A' ' 2' ' ' SER . 78.2 mt-30 -67.71 -32.99 74.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.893 -179.244 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.17 96.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.05 174.854 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.16 -37.05 85.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.316 179.906 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.425 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 81.3 t80 -65.21 -42.57 93.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 176.406 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.2 t -61.78 -51.32 68.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 -178.426 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.547 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 63.4 m-85 -66.72 -25.06 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.438 -178.951 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -75.92 -50.42 15.04 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.959 178.049 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 28.4 mm-40 -80.85 -23.41 39.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.344 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 29.8 p -55.49 -59.61 4.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.379 0.133 . . . . 0.0 111.178 -174.772 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.412 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 23.2 p-10 -69.95 -28.14 65.32 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.448 179.013 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.5 -45.08 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.708 0.29 . . . . 0.0 110.477 177.615 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 85.3 m-20 -67.03 -73.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.837 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.5 tttt 175.76 85.44 0.0 OUTLIER 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.407 0.442 . . . . 0.0 110.457 168.3 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -148.93 141.16 14.93 Favored Pre-proline 0 C--O 1.235 0.305 0 O-C-N 121.843 -0.536 . . . . 0.0 109.571 173.588 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.34 154.85 72.64 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.808 2.338 . . . . 0.0 111.414 169.569 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -52.0 -43.96 63.9 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.007 0.367 . . . . 0.0 111.712 -176.146 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.69 -39.55 88.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.935 -179.216 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.02 -38.7 89.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.195 174.757 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.547 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 33.7 t -60.3 -44.29 95.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.745 178.128 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -60.67 -37.51 81.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 177.283 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -70.94 -28.79 64.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.725 0.298 . . . . 0.0 111.208 -174.331 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 44.4 ttp -90.46 -44.13 9.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.521 179.233 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.4 m -82.84 -25.64 32.44 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -173.686 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.501 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 22.3 t -61.51 -49.7 85.97 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.025 -0.512 . . . . 0.0 112.087 -178.566 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 75.1 Cg_exo -54.58 -24.29 35.96 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.138 1.892 . . . . 0.0 113.059 175.93 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -77.63 -58.28 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.701 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -64.94 -66.7 0.51 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.175 -174.663 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 49.4 46.64 23.12 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.421 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.118 -177.24 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.735 0.302 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -148.17 67.33 9.87 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.92 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -53.26 -32.92 63.01 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.983 2.455 . . . . 0.0 113.751 -177.487 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -71.44 -46.39 60.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.719 0.295 . . . . 0.0 111.075 -176.321 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -69.91 -39.09 76.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 -179.01 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.35 90.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.262 176.5 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.3 -31.12 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.81 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -66.95 -42.47 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.26 176.55 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.2 t -60.05 -46.17 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.933 178.391 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.494 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 54.6 m-85 -69.08 -34.34 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.437 179.472 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.7 tp10 -60.91 -52.22 65.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.069 0.462 . . . . 0.0 110.357 177.8 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -61.34 -25.13 66.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -178.324 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.465 ' CA ' HG13 ' A' ' 18' ' ' VAL . 53.4 m -61.59 -51.23 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.36 177.361 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -75.27 -26.93 59.19 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.778 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 11' ' ' GLU . 69.0 t -65.06 -45.49 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.871 175.739 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' C ' ' HG3' ' A' ' 17' ' ' LYS . 71.8 m-20 -86.56 -77.9 0.3 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.261 -174.866 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HG3' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER 177.45 81.74 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.946 0.403 . . . . 0.0 111.482 176.018 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.465 HG13 ' CA ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -163.66 124.25 1.43 Allowed Pre-proline 0 C--N 1.322 -0.598 0 O-C-N 121.364 -0.835 . . . . 0.0 111.009 175.663 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.28 153.19 54.95 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.499 2.8 . . . . 0.0 112.787 177.909 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -54.79 -44.18 73.52 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 111.776 0.288 . . . . 0.0 111.776 -176.781 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.79 -44.1 97.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.728 0.299 . . . . 0.0 111.665 -177.596 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -74.4 -27.14 60.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.763 0.316 . . . . 0.0 110.487 177.963 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 27.6 t -68.28 -38.79 82.04 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.519 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -55.2 -34.35 63.83 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.923 175.661 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -65.2 -34.89 79.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.946 0.403 . . . . 0.0 110.694 -178.086 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.518 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 35.3 ttp -90.51 -47.53 7.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -177.323 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.3 m -83.57 -14.4 52.21 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.427 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.566 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.2 p -58.15 -44.43 99.25 Favored Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -178.14 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.566 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 92.8 Cg_exo -48.75 -47.63 20.37 Favored 'Trans proline' 0 C--N 1.362 1.248 0 C-N-CA 122.54 2.16 . . . . 0.0 114.088 179.834 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -71.23 -29.71 65.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 0.0 110.29 -178.088 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -79.35 -67.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.494 -177.414 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -154.42 116.79 4.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.662 177.264 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 10.7 t . . . . . 0 C--N 1.323 -0.544 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.762 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.483 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 70.9 m -140.67 58.2 9.5 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.248 -177.434 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.483 ' HD3' ' N ' ' A' ' 2' ' ' SER . 23.9 Cg_exo -62.74 -56.35 0.64 Allowed 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.542 2.162 . . . . 0.0 113.574 -176.385 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -65.71 -42.98 90.47 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 -174.302 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -65.23 -35.35 80.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.73 0.3 . . . . 0.0 110.708 -179.011 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.49 98.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.987 175.434 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -64.29 -42.8 96.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.06 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -61.89 -40.82 96.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.489 177.611 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.86 -50.48 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.431 -179.168 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -70.48 -29.89 66.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.546 -179.381 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.4 tt0 -67.47 -52.4 39.71 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.358 177.756 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -80.26 -26.91 38.75 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -171.995 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.468 ' O ' HG13 ' A' ' 18' ' ' VAL . 23.9 p -56.47 -50.47 71.65 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.006 0.431 . . . . 0.0 110.435 -177.642 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.41 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 63.5 t30 -75.91 -27.58 57.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -178.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 11' ' ' GLU . 54.9 t -69.06 -40.4 80.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.52 0.2 . . . . 0.0 110.761 178.851 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 75.0 m-20 -70.41 -75.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.686 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 84.1 tttt 175.25 83.71 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.839 170.798 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.48 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -152.7 143.14 15.42 Favored Pre-proline 0 C--O 1.237 0.425 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 173.777 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.7 Cg_exo -66.58 152.91 79.74 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.891 2.394 . . . . 0.0 111.944 172.824 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' CYS . 69.7 t80 -55.04 -40.83 70.68 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -177.573 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.62 -38.26 84.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.847 0.355 . . . . 0.0 110.677 179.319 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.641 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 35.5 tt0 -74.0 -28.47 61.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.366 176.098 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 20' ' ' PHE . 73.7 m -59.19 -48.67 80.76 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 169.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -57.49 -43.04 83.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.823 -179.237 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 8.1 pt20 -63.82 -30.56 71.63 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.64 0.257 . . . . 0.0 110.94 -174.354 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.8 ttp -90.19 -45.86 8.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.485 -179.665 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -79.93 -18.55 50.21 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.91 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.706 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.6 p -64.26 -49.99 69.96 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-O 118.55 -0.738 . . . . 0.0 112.859 -177.854 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.706 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.4 Cg_exo -62.0 -15.04 40.88 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 122.141 1.894 . . . . 0.0 112.588 176.791 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -81.29 -59.67 2.55 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.462 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 36.2 tt0 -63.72 -51.8 63.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.77 -175.771 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 31' ' ' GLU . 12.6 mmm180 -134.02 -176.64 4.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.624 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.191 177.919 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.463 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 3.4 t -158.89 58.32 1.25 Allowed Pre-proline 0 CA--C 1.537 0.475 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.899 178.052 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' A' ' 2' ' ' SER . 31.5 Cg_exo -59.37 -39.33 78.0 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.577 2.185 . . . . 0.0 113.497 -177.267 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -70.12 -46.69 64.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -175.84 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -67.25 -31.53 71.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 178.981 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.95 94.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.044 177.443 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.29 -36.23 83.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.191 0.519 . . . . 0.0 109.713 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -67.42 -41.01 85.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.454 176.221 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.26 -50.02 71.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.543 -179.925 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -65.4 -21.27 66.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.826 0.346 . . . . 0.0 111.465 -179.575 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.2 tp10 -78.66 -61.23 2.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.002 0.429 . . . . 0.0 110.115 177.489 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -69.43 -23.68 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.36 -172.947 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 29.2 p -55.76 -54.15 47.93 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.532 -177.745 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.405 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 61.9 t30 -74.33 -28.95 61.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.909 179.35 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' GLU . 76.0 t -66.65 -38.51 81.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.582 0.23 . . . . 0.0 110.469 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -69.21 -75.07 0.12 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 176.648 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.3 pttt 175.45 84.15 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.872 0.732 . . . . 0.0 110.606 166.074 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.3 m -148.75 149.61 31.09 Favored Pre-proline 0 C--O 1.233 0.198 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 172.505 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.429 ' O ' HG23 ' A' ' 18' ' ' VAL . 16.8 Cg_exo -69.23 154.29 70.05 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.892 2.395 . . . . 0.0 111.237 169.101 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -60.14 -37.0 78.77 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.442 0.163 . . . . 0.0 111.294 -178.175 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -59.49 -33.15 70.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.426 177.137 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -73.58 -38.35 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.232 174.861 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.9 m -55.76 -42.01 74.83 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.143 0.497 . . . . 0.0 109.699 173.726 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.29 -23.85 67.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.979 -179.54 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -85.06 -29.96 24.49 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.128 -178.237 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.3 ttp -91.3 -48.76 6.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.808 0.337 . . . . 0.0 111.828 179.258 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 32.6 m -77.06 -36.06 56.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -170.878 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.503 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 48.9 m -60.9 -50.06 86.53 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -177.595 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 74.1 Cg_exo -54.37 -23.35 30.4 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.431 2.088 . . . . 0.0 113.415 176.187 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 10.7 tp -70.31 -53.92 14.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.266 0.555 . . . . 0.0 110.626 176.627 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.95 -51.17 9.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.614 -174.89 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -130.73 112.04 12.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.596 -171.58 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.323 -0.559 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.739 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.691 0.281 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t -159.11 80.22 2.76 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.232 -179.65 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.42 -13.41 32.8 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.237 1.958 . . . . 0.0 112.381 176.874 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -82.82 -52.44 6.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.522 -178.121 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -66.6 -26.54 67.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.107 0.48 . . . . 0.0 110.197 179.356 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.5 80.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.302 175.119 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -63.18 -39.8 95.7 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.254 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.04 -43.43 95.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.219 177.945 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.9 -52.58 63.58 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.966 -178.964 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.545 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 83.9 m-85 -74.66 -38.57 62.42 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.465 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -64.29 -36.02 82.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 -175.785 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -80.43 -17.36 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.364 -178.302 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 85.5 m -51.86 -54.59 27.38 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.862 0.363 . . . . 0.0 111.242 -179.53 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -75.64 -26.66 57.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.908 0.385 . . . . 0.0 110.364 -177.291 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.19 -43.94 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.303 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 84.2 m-20 -78.6 -77.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.183 -178.957 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.1 tttt 173.18 84.32 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.198 0.599 . . . . 0.0 109.646 169.668 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 p -163.49 125.23 1.55 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 121.78 -0.575 . . . . 0.0 110.89 175.716 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.94 143.79 90.93 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.953 2.435 . . . . 0.0 111.622 175.723 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -56.3 -37.61 70.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.527 -175.541 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -65.48 -47.45 76.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.662 0.268 . . . . 0.0 111.204 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 38.0 tt0 -69.49 -33.15 72.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.871 0.367 . . . . 0.0 110.529 177.534 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.47 -29.52 64.93 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.162 179.648 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -54.82 -35.0 63.46 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.175 174.469 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 6.7 pt20 -67.25 -25.27 66.0 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.704 0.288 . . . . 0.0 110.431 -176.732 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.0 ttp -90.68 -47.4 7.68 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.5 -179.851 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.6 m -80.12 -10.92 59.79 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -175.811 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.674 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.3 p -59.92 -51.32 81.54 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -177.66 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.674 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.6 Cg_exo -61.17 -12.76 24.63 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.998 1.799 . . . . 0.0 112.66 178.194 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -90.28 -61.44 1.68 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.48 179.213 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -78.45 -32.49 48.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.223 -173.05 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.48 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 3.3 mmp_? -107.64 123.0 47.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.001 0.429 . . . . 0.0 110.416 -174.365 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.896 -179.798 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.63 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 18.6 t -174.04 82.74 0.36 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.034 -177.295 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.73 -25.59 76.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 121.705 1.603 . . . . 0.0 112.052 176.745 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -66.77 -41.38 87.82 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.496 -178.921 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.63 ' HG2' ' O ' ' A' ' 2' ' ' SER . 24.9 pt20 -64.03 -31.75 73.05 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.132 0.492 . . . . 0.0 110.451 -178.954 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.99 -41.45 67.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.274 175.834 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -62.84 -35.85 81.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.124 178.616 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.641 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 74.3 t80 -65.76 -39.98 91.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.47 176.54 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.4 t -62.62 -46.55 87.76 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.739 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 42.1 m-85 -69.32 -27.42 65.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.036 179.743 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 9.0 pt-20 -77.41 -43.64 31.93 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.581 -179.017 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.411 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 22.6 mm-40 -81.29 -26.41 35.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -176.626 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -56.22 -53.05 61.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.525 0.203 . . . . 0.0 111.407 -173.683 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -71.71 -29.13 64.22 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.397 178.785 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 11' ' ' GLU . 73.1 t -66.71 -39.69 84.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.44 178.817 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 81.3 m-20 -67.83 -76.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.03 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.575 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 175.92 84.09 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 O-C-N 123.715 0.635 . . . . 0.0 110.294 169.728 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -148.79 140.58 14.48 Favored Pre-proline 0 C--O 1.235 0.317 0 O-C-N 121.085 -1.009 . . . . 0.0 110.023 175.352 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 21.2 Cg_exo -66.64 154.86 72.94 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.869 2.38 . . . . 0.0 110.974 169.416 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -53.14 -43.39 66.92 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.197 0.453 . . . . 0.0 111.569 -175.717 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' OD2' ' HB2' ' A' ' 19' ' ' PRO . 5.6 p-10 -57.91 -40.0 79.3 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.356 -179.258 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -66.61 -39.94 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.438 177.272 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 28.9 t -62.93 -40.4 97.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.205 0.526 . . . . 0.0 109.684 178.154 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -64.03 -31.54 72.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.76 179.084 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -78.31 -27.34 47.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.918 0.39 . . . . 0.0 111.169 -175.481 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 40.4 ttp -90.59 -49.55 6.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.747 0.308 . . . . 0.0 111.608 178.78 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.4 m -86.17 -25.3 25.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -170.353 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.517 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 31.2 t -67.9 -51.21 29.59 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.504 -179.693 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 62.8 Cg_exo -57.65 -16.86 26.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 121.972 1.782 . . . . 0.0 112.863 175.753 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.34 -56.43 6.73 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.756 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -80.81 -56.42 4.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.778 -176.762 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -134.4 92.69 2.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.433 -171.256 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.31 178.498 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 120.63 0.252 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -165.22 68.84 1.3 Allowed Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -178.699 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.48 -41.91 73.25 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.765 2.31 . . . . 0.0 113.971 -175.206 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -72.1 -43.64 64.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.814 0.34 . . . . 0.0 111.045 -175.261 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -67.0 -33.34 75.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.092 0.473 . . . . 0.0 110.236 179.465 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.14 95.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.766 176.521 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -65.55 -34.03 77.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.962 179.659 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -67.09 -43.06 83.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.171 175.846 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -59.76 -51.79 68.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 -179.1 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.536 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 53.5 m-85 -70.0 -24.65 63.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.865 -178.036 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 15' ' ' VAL . 34.9 tt0 -78.39 -49.51 13.4 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.004 179.817 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -81.46 -23.14 37.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -172.763 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.434 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.7 p -56.05 -53.03 61.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.645 0.26 . . . . 0.0 111.154 -175.668 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -72.62 -28.82 63.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.553 0.216 . . . . 0.0 111.107 178.898 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 11' ' ' GLU . 72.3 t -65.8 -41.57 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.452 178.325 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -65.71 -75.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.485 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tttp 173.67 85.53 0.0 OUTLIER 'General case' 0 C--O 1.23 0.041 0 O-C-N 123.827 0.705 . . . . 0.0 110.082 165.912 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER -145.75 143.28 19.33 Favored Pre-proline 0 C--O 1.236 0.367 0 CA-C-N 118.424 0.556 . . . . 0.0 109.605 174.118 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.38 153.12 79.67 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.837 2.358 . . . . 0.0 111.468 171.119 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -55.7 -44.01 76.99 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.093 0.406 . . . . 0.0 111.188 -176.975 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -59.44 -35.64 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.902 -179.542 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -71.78 -39.71 69.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.363 175.367 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.536 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 34.7 t -59.52 -42.19 91.7 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.733 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -58.68 -36.52 74.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.628 177.802 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -74.04 -31.61 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -173.562 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 ttp -82.58 -45.39 14.66 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.179 179.57 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 24.0 m -81.65 -17.78 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -172.873 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.679 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.4 p -61.09 -50.39 84.59 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.31 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.679 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -60.22 -16.68 41.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.133 1.888 . . . . 0.0 112.915 177.989 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 tp -85.96 -55.63 3.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.665 178.773 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE1' ' HD2' ' A' ' 32' ' ' ARG . 2.7 tm-20 -72.91 -36.44 67.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.628 -175.716 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HD2' ' OE1' ' A' ' 31' ' ' GLU . 10.2 mmm180 -109.01 67.5 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.989 0.423 . . . . 0.0 110.222 -179.54 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.5 p . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.895 178.215 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 121.003 0.43 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -161.34 80.48 2.08 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.129 -177.525 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.09 -20.24 44.98 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 121.842 1.694 . . . . 0.0 111.364 174.56 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -61.25 -42.18 98.18 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.966 177.035 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -66.13 -45.83 79.67 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.383 179.722 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.77 89.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.325 177.92 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -64.12 -40.59 96.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.794 179.412 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -67.81 -40.68 83.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 110.374 179.432 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.8 t -58.77 -56.2 25.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.541 -178.381 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -70.57 -24.53 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 111.297 -177.725 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 15' ' ' VAL . 13.6 tp10 -65.66 -62.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.114 0.483 . . . . 0.0 110.074 176.642 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -74.68 -24.99 58.87 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -170.972 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -56.98 -58.02 9.99 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.107 -174.123 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -71.89 -28.22 63.36 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.455 178.829 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 11' ' ' GLU . 79.4 t -65.65 -37.82 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.394 0.14 . . . . 0.0 110.663 177.963 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -64.66 -74.27 0.11 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.332 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 19.4 pttp 175.46 84.49 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.913 0.758 . . . . 0.0 110.133 165.393 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.3 m -148.27 145.16 19.83 Favored Pre-proline 0 C--O 1.235 0.339 0 O-C-N 121.794 -0.566 . . . . 0.0 109.626 176.07 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.7 Cg_exo -66.73 154.28 75.02 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.754 2.302 . . . . 0.0 110.946 168.668 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -57.08 -40.05 76.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.012 0.369 . . . . 0.0 111.171 -177.076 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.4 p30 -57.41 -45.68 84.33 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.525 178.291 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -60.31 -40.36 90.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.977 0.418 . . . . 0.0 110.512 175.992 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.0 t -62.26 -45.7 92.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.781 178.963 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -63.86 -35.29 80.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.951 178.818 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 88.8 mt-30 -64.38 -40.27 95.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.806 0.336 . . . . 0.0 110.647 -175.588 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 59.9 mtm -88.21 -33.67 18.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.501 -179.704 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 t -87.29 -13.22 44.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -173.132 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.579 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 4.0 p -58.4 -47.83 98.08 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.992 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.579 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 71.6 Cg_exo -54.89 -18.25 16.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.923 1.749 . . . . 0.0 113.223 176.176 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -90.49 -65.02 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.42 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' HG2' ' A' ' 32' ' ' ARG . 33.5 tt0 -80.46 -58.87 2.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.995 -172.531 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.556 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -134.62 98.33 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 -175.087 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.566 179.811 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.481 ' OG ' ' HB2' ' A' ' 5' ' ' GLN . 5.9 t -156.54 62.74 2.99 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.127 -178.245 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -53.99 -45.93 37.39 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.889 2.393 . . . . 0.0 113.5 -176.61 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -66.75 -47.54 71.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.948 0.404 . . . . 0.0 111.116 -176.519 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.481 ' HB2' ' OG ' ' A' ' 2' ' ' SER . 20.4 mm-40 -67.68 -31.23 71.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.81 -179.304 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.51 96.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 175.551 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -64.6 -39.55 93.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.989 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -65.47 -40.37 93.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.315 177.004 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.8 t -61.2 -51.78 67.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.309 -179.051 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.521 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 52.4 m-85 -69.68 -24.43 63.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.887 -178.196 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 11.9 tp10 -76.68 -59.14 2.9 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.946 0.403 . . . . 0.0 110.337 -179.553 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -76.52 -18.69 58.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -171.58 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.466 ' O ' HG13 ' A' ' 18' ' ' VAL . 32.1 p -57.82 -57.99 10.34 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.664 0.269 . . . . 0.0 110.611 -177.353 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.416 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 16.0 p30 -76.37 -27.07 56.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.476 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' GLU . 79.5 t -66.12 -40.07 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.864 0.364 . . . . 0.0 110.054 177.308 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.475 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 50.2 t-20 -71.5 -73.48 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.708 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 66.9 tttp 175.43 86.04 0.0 OUTLIER 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.662 0.601 . . . . 0.0 110.528 171.052 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.1 m -149.81 144.6 17.88 Favored Pre-proline 0 C--O 1.235 0.304 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 172.266 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 18' ' ' VAL . 21.8 Cg_exo -64.71 152.26 82.65 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.344 2.029 . . . . 0.0 111.175 170.65 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -54.55 -41.65 70.02 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 117.678 0.217 . . . . 0.0 110.864 -178.632 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -61.18 -38.51 86.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.798 -179.826 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -66.89 -39.92 87.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.89 0.376 . . . . 0.0 110.217 176.752 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.521 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 17.2 t -61.87 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.072 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -66.58 -28.32 68.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.483 177.133 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -73.27 -36.48 66.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 -176.976 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.2 mtm -92.23 -50.3 5.74 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 179.864 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.9 m -77.64 -26.58 50.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -170.893 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.483 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 10.3 t -68.19 -48.11 37.77 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.78 -178.113 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 58.5 Cg_exo -58.89 -11.07 11.14 Favored 'Trans proline' 0 C--N 1.362 1.244 0 C-N-CA 122.374 2.049 . . . . 0.0 113.06 172.972 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -87.79 -56.53 3.3 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.08 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -73.74 -44.46 56.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.595 -173.716 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.456 ' HA ' ' HE ' ' A' ' 32' ' ' ARG . 3.1 mmp_? -119.81 86.28 2.53 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.102 0.477 . . . . 0.0 111.103 -172.552 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.842 173.783 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.495 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 11.2 t -173.08 74.37 0.41 Allowed Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.275 -177.829 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -55.37 -26.05 51.02 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.464 2.109 . . . . 0.0 113.104 178.912 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -70.58 -36.47 73.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.336 -177.112 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 2' ' ' SER . 11.6 pt20 -66.63 -34.45 77.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.264 0.554 . . . . 0.0 110.134 -179.362 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.56 -43.03 64.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.284 176.857 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.5 -37.4 87.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.128 179.29 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -64.24 -39.94 95.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.13 177.281 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.3 t -64.07 -51.48 63.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.228 -179.583 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.507 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 57.2 m-85 -67.9 -23.33 65.09 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.708 0.289 . . . . 0.0 111.571 -179.149 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 15' ' ' VAL . 9.7 tp10 -75.94 -62.53 1.57 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.197 0.522 . . . . 0.0 110.222 178.14 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.411 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 21.6 mm-40 -73.8 -19.14 60.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.514 -170.626 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 30.4 p -56.28 -59.24 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.742 -177.148 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.406 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 20.9 p30 -74.72 -27.1 60.23 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.416 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.2 t -65.56 -40.46 88.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.521 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 91.2 m-20 -67.1 -74.19 0.12 Allowed 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 176.673 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 15.2 mttp 174.63 86.53 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 O-C-N 124.002 0.814 . . . . 0.0 110.59 166.091 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -144.87 144.81 25.41 Favored Pre-proline 0 C--O 1.234 0.258 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 172.234 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.24 153.61 73.07 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.464 2.109 . . . . 0.0 110.978 170.605 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -57.29 -41.8 80.48 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.876 -177.603 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.6 p30 -58.96 -38.49 79.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.208 178.883 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -66.23 -40.47 90.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.818 0.342 . . . . 0.0 110.572 175.787 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 18.2 t -61.08 -40.62 94.37 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.001 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -66.24 -26.06 67.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.005 177.392 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 11.1 mm100 -80.54 -29.69 37.15 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.559 -0.713 . . . . 0.0 110.816 -178.251 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.5 ttp -91.61 -53.04 4.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.347 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 33.8 m -82.95 -28.18 30.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.022 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.501 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 19.3 m -67.64 -49.13 41.26 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -177.615 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 78.4 Cg_exo -56.67 -23.55 49.81 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 121.749 1.633 . . . . 0.0 112.409 173.416 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 1.8 tt -72.18 -59.69 2.61 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 176.184 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -65.52 -51.45 59.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.851 -174.738 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -125.35 101.37 6.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.055 0.455 . . . . 0.0 110.686 -172.985 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.13 179.102 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.731 0.301 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 9.4 t -175.51 76.62 0.3 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.009 -177.783 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.6 -27.61 61.15 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.223 1.949 . . . . 0.0 112.429 176.388 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -63.74 -44.75 92.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.41 -179.804 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.5 pt20 -66.96 -32.55 73.87 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.641 -177.345 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.88 93.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.998 174.357 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -64.64 -34.77 79.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.242 178.197 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -62.95 -43.47 98.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.2 177.557 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.1 t -60.54 -46.55 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.048 178.854 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.52 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 47.3 m-85 -73.34 -28.45 62.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.284 -178.852 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.5 tt0 -72.88 -49.67 28.45 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.486 179.434 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -79.91 -19.24 48.58 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -171.416 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 24.6 p -62.69 -55.96 22.02 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.615 -177.066 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 22.1 p30 -73.06 -26.04 61.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.639 179.506 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 11' ' ' GLU . 42.9 t -61.82 -44.78 99.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 176.705 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -70.0 -76.92 0.09 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.704 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 pttm 174.64 86.61 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.241 0.616 . . . . 0.0 110.472 168.884 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.1 m -140.87 143.47 31.91 Favored Pre-proline 0 C--N 1.327 -0.375 0 O-C-N 121.519 -0.738 . . . . 0.0 109.463 173.679 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.55 154.19 74.86 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.527 2.152 . . . . 0.0 111.39 172.031 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -53.19 -41.22 65.04 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.512 0.196 . . . . 0.0 111.249 -178.668 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -57.07 -48.9 77.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.204 179.736 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -61.82 -41.34 97.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.732 0.301 . . . . 0.0 110.442 177.673 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.7 t -62.24 -42.98 99.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.143 0.497 . . . . 0.0 109.859 179.457 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -64.83 -37.86 89.03 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.273 178.377 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -74.34 -31.58 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.659 0.266 . . . . 0.0 111.447 -174.086 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 ttp -81.1 -45.5 16.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.205 179.445 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 16.8 m -86.36 -11.73 51.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -173.898 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.661 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.0 p -60.14 -50.43 86.16 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.523 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.661 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 67.4 Cg_exo -56.07 -25.89 56.76 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 121.897 1.732 . . . . 0.0 112.492 178.254 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 tt -78.07 -58.55 3.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.267 179.187 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -64.07 -42.84 96.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.256 -175.159 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.72 -86.58 0.07 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.453 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -178.194 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.614 0.245 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m -159.9 51.08 0.38 Allowed Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.486 177.562 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.36 -46.66 1.92 Allowed 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 121.988 1.792 . . . . 0.0 113.261 -173.348 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.62 -40.27 92.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.265 -175.642 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -63.96 -41.07 97.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.85 0.357 . . . . 0.0 110.626 179.401 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.12 -45.74 83.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.513 177.988 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -67.34 -38.86 85.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.019 -179.056 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.01 -42.11 99.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.25 178.489 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.3 t -60.28 -56.31 23.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.808 178.241 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -68.64 -18.9 64.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.711 -175.46 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -79.54 -56.06 4.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.65 173.936 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -81.62 -18.65 43.95 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -171.384 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -53.88 -53.69 49.13 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.591 0.234 . . . . 0.0 111.147 -175.955 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -72.26 -28.94 63.46 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.158 178.479 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.2 t -66.55 -37.35 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.75 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 79.7 m-20 -70.35 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.152 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 22.8 ttpp 175.77 83.7 0.0 OUTLIER 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.646 0.591 . . . . 0.0 110.355 166.943 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.609 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -154.94 142.45 13.92 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 174.085 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.499 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.0 Cg_exo -66.61 153.62 77.33 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.715 2.277 . . . . 0.0 111.119 168.744 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.529 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 49.8 t80 -56.99 -38.2 72.72 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -177.092 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -58.94 -37.39 76.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.853 0.359 . . . . 0.0 110.412 177.251 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.609 ' OE1' ' HB ' ' A' ' 18' ' ' VAL . 64.8 tt0 -72.75 -33.93 66.69 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.319 176.306 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' A' ' 20' ' ' PHE . 56.5 m -55.72 -45.2 77.99 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.756 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -64.77 -40.79 95.85 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.999 179.423 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -64.3 -35.5 81.05 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.873 -174.111 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.2 ttp -83.76 -42.94 15.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.918 -177.919 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 97.0 m -103.97 6.89 36.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -172.852 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.656 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.1 p -56.67 -47.42 99.03 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.854 171.979 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.656 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 47.8 Cg_exo -62.44 -12.03 25.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.16 1.907 . . . . 0.0 112.848 174.789 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -89.76 -59.87 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.235 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -80.4 -40.27 26.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.018 -174.841 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 32' ' ' ARG . 3.4 mmp_? -95.81 160.98 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.907 0.384 . . . . 0.0 110.35 -176.919 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.531 -179.718 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -168.71 80.53 0.75 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.228 -176.952 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -58.49 -18.08 37.5 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.343 2.028 . . . . 0.0 112.86 178.268 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -70.38 -33.33 71.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.828 179.209 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -63.97 -41.46 97.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.205 0.526 . . . . 0.0 110.273 178.175 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.62 87.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.231 176.891 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -63.07 -35.48 80.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.458 179.168 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -62.96 -43.32 99.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.401 176.124 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.27 -49.21 74.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 -179.039 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.59 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 55.7 m-85 -67.46 -27.71 67.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.55 179.79 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.7 tt0 -71.02 -55.27 8.65 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.124 176.941 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -70.64 -27.59 64.16 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -171.562 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.9 p -63.49 -50.37 69.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.391 . . . . 0.0 110.041 -179.229 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -73.22 -29.57 62.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.893 177.964 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 11' ' ' GLU . 44.9 t -63.36 -40.91 90.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.33 176.982 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -74.6 -77.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.818 179.002 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 173.95 86.23 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.626 0.579 . . . . 0.0 111.043 170.614 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -145.21 144.58 23.88 Favored Pre-proline 0 CA--C 1.534 0.356 0 O-C-N 121.654 -0.654 . . . . 0.0 109.745 174.072 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.99 154.21 75.38 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.852 2.368 . . . . 0.0 111.821 172.315 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -55.41 -44.67 76.41 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.923 0.329 . . . . 0.0 111.584 -175.842 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -57.75 -41.46 81.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.642 0.258 . . . . 0.0 111.148 -178.386 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -69.02 -38.28 79.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 176.505 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 21.9 t -61.85 -42.58 99.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.073 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -59.25 -39.21 82.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.042 177.003 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -62.53 -40.65 97.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.925 0.393 . . . . 0.0 110.749 -177.117 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.444 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 39.2 ttp -82.13 -44.17 16.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.681 -176.76 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.0 m -80.9 -21.22 40.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -173.656 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.668 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.5 p -60.23 -47.87 95.59 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.678 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.668 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 66.0 Cg_exo -57.11 -20.35 37.41 Favored 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 122.392 2.061 . . . . 0.0 113.182 178.157 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.65 -59.84 2.59 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.233 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -67.59 -35.02 78.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.245 -174.415 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -139.94 143.46 36.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.866 0.365 . . . . 0.0 110.385 -176.079 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.321 -0.67 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.049 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.872 0.368 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 32.5 t -169.59 84.81 0.61 Allowed Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.565 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.71 -29.06 49.88 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.399 2.066 . . . . 0.0 113.268 -178.181 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.35 -49.91 56.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.094 -179.665 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.4 pt20 -64.92 -34.75 79.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 110.395 -177.598 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.24 84.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.249 176.844 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -62.39 -38.56 90.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.701 179.214 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.55 -38.17 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.707 177.583 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -57.67 -47.86 81.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 178.082 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.496 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 53.0 m-85 -68.9 -20.17 64.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.461 179.775 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.7 tt0 -81.68 -51.43 8.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.766 176.496 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.482 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 11.9 pt20 -80.11 -17.78 51.65 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -171.386 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 p -57.48 -55.85 29.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.618 0.247 . . . . 0.0 110.976 -175.76 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -71.54 -27.46 63.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.493 0.187 . . . . 0.0 111.179 177.152 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.482 ' HB ' ' HA ' ' A' ' 12' ' ' GLN . 42.7 t -62.57 -42.65 96.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.39 177.975 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 80.5 m-20 -69.37 -73.77 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.807 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.4 tttt 175.1 85.43 0.0 OUTLIER 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.669 0.605 . . . . 0.0 110.265 168.609 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.1 m -149.67 146.77 21.25 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-N 118.167 0.439 . . . . 0.0 109.879 174.779 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.51 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 13.5 Cg_exo -71.31 154.65 61.24 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.75 2.3 . . . . 0.0 111.135 168.254 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -52.52 -41.46 63.49 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.196 0.453 . . . . 0.0 111.857 -174.74 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.51 ' OD1' ' HB2' ' A' ' 19' ' ' PRO . 8.6 p-10 -58.78 -41.92 87.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.157 -178.673 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -67.34 -36.89 82.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.369 . . . . 0.0 110.09 176.108 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 38.9 t -58.46 -43.79 89.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.771 177.933 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -62.05 -42.88 99.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.558 177.212 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -74.98 -21.89 58.87 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.671 -171.283 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.5 ttp -90.39 -45.76 8.8 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.241 176.691 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -82.82 -26.13 32.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.66 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.517 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 23.2 t -62.62 -51.46 72.24 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-O 119.038 -0.506 . . . . 0.0 112.088 -177.773 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 89.3 Cg_exo -53.58 -32.76 65.51 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 122.083 1.855 . . . . 0.0 112.816 176.277 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.25 -51.02 61.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.775 176.367 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -75.88 -48.07 22.86 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.013 -174.129 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.599 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.0 mmp_? -79.73 97.33 6.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.991 0.424 . . . . 0.0 110.511 -177.658 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.891 179.386 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.861 0.362 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -169.6 78.52 0.67 Allowed Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.741 179.977 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.77 -27.58 27.37 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.537 2.158 . . . . 0.0 112.487 175.943 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -58.94 -35.94 73.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.289 177.553 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -70.19 -41.08 74.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.801 -179.761 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.02 94.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.126 176.677 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.18 -32.22 73.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.124 178.597 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -62.91 -43.81 97.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.389 178.284 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 t -60.06 -52.01 67.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.408 177.991 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.581 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 69.1 m-85 -68.67 -29.11 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.694 -176.254 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 15' ' ' VAL . 35.7 tt0 -69.87 -52.0 28.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.764 0.316 . . . . 0.0 110.416 176.108 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -81.16 -21.56 39.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -170.629 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -60.74 -50.1 74.85 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.931 -175.286 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -72.27 -29.03 63.51 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.918 178.194 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 11' ' ' GLU . 68.9 t -66.29 -36.32 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.378 179.206 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -73.5 -75.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 175.353 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 177.74 84.35 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.556 0.535 . . . . 0.0 111.017 169.33 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -149.09 141.66 15.33 Favored Pre-proline 0 C--O 1.236 0.372 0 O-C-N 121.333 -0.854 . . . . 0.0 109.721 172.072 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -68.21 154.96 71.09 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.948 2.432 . . . . 0.0 111.302 168.739 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -53.22 -44.51 68.11 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 117.987 0.358 . . . . 0.0 111.3 -177.847 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 3.8 p30 -56.98 -41.32 78.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.954 -179.659 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -66.18 -40.54 90.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.531 177.15 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.581 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 9.0 t -63.07 -40.05 96.53 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.819 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -64.06 -38.57 91.57 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.874 176.402 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 84.3 mm-40 -71.32 -22.04 61.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.049 -173.031 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.0 ttp -90.81 -52.56 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.975 179.365 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.7 m -103.21 6.32 38.19 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -170.879 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.62 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 29.9 p -59.28 -44.98 99.13 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 119.627 -0.829 . . . . 0.0 111.592 172.687 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.62 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 75.2 Cg_exo -55.38 -22.62 34.62 Favored 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 121.795 1.664 . . . . 0.0 112.525 175.265 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.3 -61.2 2.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.122 177.722 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -79.82 -71.45 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.175 -173.21 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -146.95 117.91 7.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.144 0.497 . . . . 0.0 110.502 -179.56 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.321 -0.67 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.741 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 120.816 0.341 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.539 HE21 ' HA ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -65.9 -36.42 83.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.511 178.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.97 81.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.271 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -63.7 -34.61 78.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.266 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.4 -43.53 94.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.361 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.4 t -64.41 -49.46 71.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.36 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.515 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 63.5 m-85 -67.47 -23.31 65.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.721 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 15' ' ' VAL . 42.6 tt0 -82.3 -54.07 5.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.696 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.531 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -70.17 -23.15 62.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -172.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 p -59.5 -51.78 68.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.745 0.307 . . . . 0.0 110.558 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -79.7 -28.84 40.61 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.146 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 11' ' ' GLU . 78.7 t -61.26 -41.96 91.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.552 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.0 m120 -71.13 -76.87 0.1 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 81.7 tttt 172.45 87.29 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.681 0.613 . . . . 0.0 110.545 166.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -141.73 145.29 36.36 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 118.47 0.577 . . . . 0.0 109.521 172.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.69 152.43 69.28 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 123.04 2.494 . . . . 0.0 111.97 172.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -56.19 -44.37 79.36 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.544 0.211 . . . . 0.0 111.337 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.99 -38.06 87.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.031 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -68.62 -36.29 78.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.117 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 44.8 t -61.69 -47.22 86.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -61.57 -34.73 76.09 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.064 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.85 -38.64 89.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.008 0.432 . . . . 0.0 110.806 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.472 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 40.7 ttp -85.69 -43.33 13.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.783 -177.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.3 m -82.08 -20.12 38.81 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -172.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.645 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.7 p -58.92 -46.45 99.53 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.645 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 71.5 Cg_exo -54.36 -37.34 88.92 Favored 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 121.925 1.75 . . . . 0.0 112.529 177.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -68.96 -57.6 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.281 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.552 -173.101 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.593 0.235 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -65.27 -42.21 93.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.269 0.557 . . . . 0.0 110.197 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.73 91.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.472 176.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -63.81 -35.29 80.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.151 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.64 -40.72 97.89 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.419 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.07 -47.42 82.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.666 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.7 m-85 -69.48 -24.49 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.5 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 15' ' ' VAL . 10.8 tp10 -69.11 -64.08 0.94 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.14 0.495 . . . . 0.0 110.242 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.544 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -71.14 -23.65 62.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.442 -169.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 28.5 p -61.43 -51.94 66.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 110.203 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.421 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.8 t-20 -72.8 -27.96 62.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 11' ' ' GLU . 60.1 t -66.68 -38.08 80.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.669 0.271 . . . . 0.0 110.737 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -73.86 -76.64 0.13 Allowed 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.855 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.1 pttp 174.91 85.35 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.786 0.679 . . . . 0.0 110.213 172.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -146.1 143.14 18.67 Favored Pre-proline 0 C--O 1.236 0.388 0 O-C-N 121.561 -0.712 . . . . 0.0 109.788 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.91 153.44 75.75 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.806 2.337 . . . . 0.0 111.384 170.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.83 -42.23 79.27 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.2 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.9 p30 -59.98 -40.74 90.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.643 0.259 . . . . 0.0 110.406 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -63.48 -40.6 97.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.965 0.412 . . . . 0.0 110.166 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.666 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 22.2 t -62.53 -44.38 96.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -57.9 -37.86 74.78 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.171 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 98.6 mt-30 -68.39 -36.17 78.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.827 0.346 . . . . 0.0 110.707 -174.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.0 ttp -85.6 -37.11 19.9 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.655 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.8 m -84.65 -20.56 31.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.602 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 17.8 p -61.94 -44.69 90.82 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.602 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 58.2 Cg_exo -57.95 -23.43 59.81 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 121.935 1.757 . . . . 0.0 112.674 174.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.32 -63.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.836 -175.198 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 4' ' ' GLN . 15.0 mm-40 . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -68.73 -38.8 80.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.211 0.529 . . . . 0.0 109.965 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.3 -43.08 87.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.171 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -63.02 -35.47 80.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.319 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.41 -42.58 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.36 -50.39 73.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.46 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.487 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 52.8 m-85 -66.63 -35.68 80.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.522 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.6 tp10 -65.4 -50.11 66.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.654 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.434 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 17.2 mm100 -64.01 -21.88 66.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.435 -177.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.568 ' HB3' HG22 ' A' ' 18' ' ' VAL . 61.2 m -57.94 -51.43 69.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.294 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.25 -28.5 38.44 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.985 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.434 ' HB ' ' HA ' ' A' ' 12' ' ' GLN . 55.3 t -57.45 -48.06 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.289 0.368 . . . . 0.0 110.42 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.0 m120 -80.34 -80.56 0.13 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.829 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 64.1 tttp 170.36 87.79 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.44 0.696 . . . . 0.0 110.287 168.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -137.52 144.94 47.07 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 119.372 0.987 . . . . 0.0 110.04 174.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.422 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.3 Cg_exo -63.8 150.32 88.7 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.629 2.219 . . . . 0.0 111.334 172.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -58.76 -41.26 86.14 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -61.6 -37.61 84.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.671 0.272 . . . . 0.0 110.484 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -65.24 -43.13 92.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.291 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.4 t -63.08 -42.93 99.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.2 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -60.8 -32.14 71.49 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.42 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -71.07 -30.88 67.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.0 ttp -90.61 -48.01 7.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.985 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.0 m -82.6 -23.31 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -171.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.506 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 19.6 t -63.19 -49.47 80.06 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.762 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 60.9 Cg_exo -57.64 -14.98 18.84 Favored 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 122.05 1.833 . . . . 0.0 113.159 176.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tt -85.02 -58.43 2.7 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.475 -175.212 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 111.788 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -76.92 -34.54 57.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.143 0.497 . . . . 0.0 110.275 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.37 90.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.822 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -62.57 -34.2 76.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.799 178.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.424 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 85.6 t80 -67.0 -40.94 87.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.348 175.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.2 t -59.31 -47.51 85.13 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.41 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 59.2 m-85 -71.45 -29.61 65.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.841 -178.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.54 -53.15 17.26 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.637 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.478 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.34 -19.49 46.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -169.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.7 p -57.28 -55.44 34.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.601 0.239 . . . . 0.0 111.048 -175.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -69.54 -28.97 66.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.655 0.264 . . . . 0.0 110.919 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.7 t -68.79 -39.26 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.398 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.532 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 14.7 m120 -67.87 -75.98 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 44.8 mttt 174.87 85.03 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.836 0.855 . . . . 0.0 109.993 171.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.424 ' HB ' ' HG2' ' A' ' 22' ' ' GLN . 1.4 m -149.16 142.72 16.26 Favored Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 118.528 0.604 . . . . 0.0 110.062 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -65.38 155.53 68.21 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.085 2.523 . . . . 0.0 111.463 168.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -55.76 -44.17 77.4 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.318 0.508 . . . . 0.0 111.785 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -60.14 -38.06 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.745 0.307 . . . . 0.0 111.068 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.424 ' HG2' ' HB ' ' A' ' 18' ' ' VAL . 5.4 tp-100 -64.61 -40.09 94.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.061 0.457 . . . . 0.0 110.012 173.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 35.9 t -61.41 -46.91 88.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.118 0.485 . . . . 0.0 109.708 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -63.26 -40.84 98.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.45 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.03 -24.27 60.7 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.866 -172.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.3 ttp -87.95 -44.0 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.599 0.238 . . . . 0.0 111.227 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.91 -24.68 30.65 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.661 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 35.7 p -62.44 -46.82 89.87 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.661 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -60.55 -14.24 29.8 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 122.068 1.845 . . . . 0.0 112.886 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.0 tp -87.31 -58.09 2.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.322 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.077 -174.837 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.432 0.158 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -63.46 -27.58 69.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.118 0.485 . . . . 0.0 110.479 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.08 88.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.86 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.44 -36.93 81.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.752 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -66.85 -43.4 83.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.275 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -56.5 -49.77 73.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.863 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.534 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.1 m-85 -68.85 -43.41 75.5 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.781 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.1 tt0 -63.57 -38.5 91.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.998 -175.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -79.1 -18.27 53.61 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.656 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.402 ' CA ' HG13 ' A' ' 18' ' ' VAL . 13.3 m -55.05 -60.5 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.464 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.496 HD22 ' H ' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -70.72 -26.71 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.048 -178.616 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 11' ' ' GLU . 53.4 t -61.72 -45.13 99.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.493 176.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 11.9 m120 -79.33 -77.08 0.18 Allowed 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.781 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.591 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 176.46 84.05 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.21 0.604 . . . . 0.0 110.296 170.364 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -161.61 127.67 2.36 Favored Pre-proline 0 C--O 1.235 0.332 0 O-C-N 121.315 -0.865 . . . . 0.0 110.353 175.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 34.6 Cg_exo -60.72 152.11 71.73 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.334 2.689 . . . . 0.0 112.503 176.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -55.44 -43.17 75.13 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -177.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -61.79 -42.39 98.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 111.334 -177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -69.28 -34.61 74.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.846 0.355 . . . . 0.0 110.375 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.1 t -64.22 -38.03 89.61 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 28' ' ' SER . 23.0 t80 -56.99 -35.47 69.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.175 176.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -69.69 -30.48 68.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 35.6 ttp -91.33 -53.93 4.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 37.3 m -77.82 -26.07 49.29 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 33.4 m -62.99 -50.66 75.74 Favored Pre-proline 0 CA--C 1.534 0.354 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.24 -39.46 62.12 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.962 1.775 . . . . 0.0 112.493 174.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 16.2 tp -56.44 -56.13 25.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.099 175.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.98 -173.84 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -76.19 -42.84 44.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.165 0.507 . . . . 0.0 109.933 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.66 86.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.337 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 28.4 tptp -61.87 -37.17 83.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -65.7 -43.52 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.6 t -62.87 -51.26 67.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.544 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.1 m-85 -67.74 -30.72 70.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.194 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 15' ' ' VAL . 31.1 tt0 -72.18 -49.45 35.47 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.492 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.85 -23.45 39.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -173.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -58.77 -56.5 21.41 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.922 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.662 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -72.03 -26.4 62.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 178.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.662 ' N ' HD22 ' A' ' 14' ' ' ASN . 49.8 t -67.6 -38.58 80.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.422 0.153 . . . . 0.0 110.778 177.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -68.27 -75.17 0.11 Allowed 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.215 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 88.6 tttt 174.38 85.4 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 O-C-N 123.794 0.683 . . . . 0.0 109.885 167.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -147.1 145.29 21.64 Favored Pre-proline 0 C--O 1.236 0.367 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD2' ' NE2' ' A' ' 22' ' ' GLN . 24.5 Cg_exo -64.25 149.17 90.75 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.893 2.395 . . . . 0.0 111.034 170.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -58.74 -39.8 81.95 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.639 0.257 . . . . 0.0 111.185 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -61.31 -34.67 75.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.862 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.427 ' NE2' ' HD2' ' A' ' 19' ' ' PRO . 7.0 tt0 -73.31 -37.78 66.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.503 175.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 26.6 t -59.34 -39.61 83.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -65.97 -17.63 64.81 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.541 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -81.43 -40.53 23.23 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.889 -0.507 . . . . 0.0 110.004 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.2 ttp -87.72 -42.87 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.181 -175.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.8 m -83.13 -16.44 46.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.66 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 30.2 p -61.76 -46.99 93.14 Favored Pre-proline 0 CA--C 1.543 0.678 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.66 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 51.3 Cg_exo -58.41 -21.65 54.65 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.894 1.73 . . . . 0.0 112.791 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 tt -80.72 -56.81 3.89 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.279 -175.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.5 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.567 0.222 . . . . 0.0 111.122 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.78 -43.64 98.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.108 0.48 . . . . 0.0 110.474 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.77 86.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.554 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -64.73 -38.15 90.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.072 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -64.34 -43.09 95.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.359 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.0 t -58.92 -46.98 86.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.954 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.561 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.3 m-85 -72.03 -38.31 69.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.016 -178.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 15' ' ' VAL . 31.6 tt0 -65.22 -45.15 85.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.527 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.566 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -68.09 -21.43 64.97 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.214 -176.78 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.441 ' CA ' HG13 ' A' ' 18' ' ' VAL . 49.6 m -59.31 -52.14 66.93 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.131 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -77.25 -28.55 53.61 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.939 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 11' ' ' GLU . 73.2 t -62.37 -45.47 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.253 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 77.9 m-20 -81.74 -77.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.286 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 56.3 tttm 172.88 86.94 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 O-C-N 123.452 0.47 . . . . 0.0 110.54 170.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.441 HG13 ' CA ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -159.38 130.94 3.99 Favored Pre-proline 0 N--CA 1.466 0.352 0 O-C-N 121.709 -0.619 . . . . 0.0 110.637 176.059 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 32.3 Cg_exo -59.64 152.15 64.63 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.659 2.906 . . . . 0.0 112.765 177.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.33 -39.6 83.64 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.726 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -65.11 -42.24 94.14 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.236 -0.186 . . . . 0.0 111.091 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -70.15 -36.07 74.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 110.304 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 12.1 t -60.62 -41.99 95.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -57.92 -35.46 71.1 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.218 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -66.12 -35.24 79.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.151 0.5 . . . . 0.0 110.211 -175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.416 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 34.3 ttp -90.15 -43.63 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.071 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.5 m -81.96 -16.09 51.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -174.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.68 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.8 p -58.47 -49.82 91.42 Favored Pre-proline 0 CA--C 1.541 0.635 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.783 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.68 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 73.2 Cg_exo -54.89 -29.2 62.45 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 122.028 1.819 . . . . 0.0 112.984 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -70.67 -54.16 12.94 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.658 -173.636 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.616 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 120.439 0.161 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.15 -31.77 72.81 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.228 0.537 . . . . 0.0 109.931 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.13 -44.63 71.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.176 174.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -61.32 -38.2 86.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.239 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -61.43 -38.67 87.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.213 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.7 t -63.13 -49.09 75.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.13 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.628 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.4 m-85 -72.22 -22.98 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.005 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.9 tm-20 -81.96 -51.42 8.08 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -78.05 -19.84 53.51 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 p -59.45 -53.93 52.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.678 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -73.33 -28.76 62.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.017 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' GLU . 53.5 t -62.63 -40.78 89.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.648 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.4 m120 -68.69 -75.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.6 tttt 174.44 86.38 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.582 0.552 . . . . 0.0 110.081 167.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -145.5 145.32 25.61 Favored Pre-proline 0 C--O 1.235 0.307 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 173.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.37 154.51 73.31 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.77 2.313 . . . . 0.0 111.653 171.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -55.3 -44.56 75.85 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 117.557 0.162 . . . . 0.0 111.373 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.588 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.9 p-10 -59.4 -39.99 85.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.756 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -65.38 -41.03 94.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.992 0.425 . . . . 0.0 110.428 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.628 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.0 t -60.61 -42.95 97.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.246 0.546 . . . . 0.0 109.531 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -63.54 -28.71 70.13 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.59 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 75.0 mt-30 -73.03 -37.15 67.02 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.747 -175.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 56.7 mtm -86.06 -41.87 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.721 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.8 m -84.17 -12.22 55.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -173.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.663 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.8 p -62.5 -50.26 79.6 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.663 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.7 Cg_exo -58.64 -21.94 58.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 121.645 1.563 . . . . 0.0 112.363 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -80.85 -63.47 1.4 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.609 -173.755 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 . . . . . 0 C--O 1.231 0.08 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.49 -37.91 77.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.39 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.62 -43.61 76.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.054 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -62.64 -31.5 72.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.026 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.459 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 63.7 t80 -67.35 -41.54 85.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.442 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.53 -46.79 88.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.193 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.567 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 85.2 m-85 -74.4 -24.07 59.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.904 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.8 pt-20 -76.57 -47.67 21.75 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.611 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.557 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -75.69 -26.03 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.226 -0.296 . . . . 0.0 111.573 -172.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HB2' HG21 ' A' ' 18' ' ' VAL . 28.9 p -59.81 -55.19 37.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.475 0.179 . . . . 0.0 110.974 -176.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.669 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -73.36 -26.55 61.06 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.612 179.087 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.669 ' N ' HD22 ' A' ' 14' ' ' ASN . 36.9 t -62.63 -42.37 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 11.6 m120 -70.93 -76.4 0.1 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.714 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.57 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.34 85.22 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 O-C-N 123.792 0.683 . . . . 0.0 110.078 168.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.422 HG21 ' HB2' ' A' ' 13' ' ' CYS . 1.3 m -144.56 142.32 19.09 Favored Pre-proline 0 C--O 1.235 0.29 0 O-C-N 120.843 -1.161 . . . . 0.0 110.365 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.411 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 20.4 Cg_exo -66.72 154.99 72.54 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.846 2.364 . . . . 0.0 111.161 169.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.18 -42.56 66.32 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.123 0.419 . . . . 0.0 111.586 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.536 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 6.6 p-10 -58.71 -40.5 83.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.52 0.2 . . . . 0.0 110.582 -178.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -65.67 -40.89 92.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.795 0.331 . . . . 0.0 110.525 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.6 t -61.43 -43.86 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.14 -30.69 71.21 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.595 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 21.9 mm-40 -70.28 -38.45 75.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.978 0.418 . . . . 0.0 110.733 -176.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.9 ttp -82.93 -39.53 21.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.741 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.1 m -86.12 -14.73 43.33 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -174.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.69 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 4.6 p -59.13 -51.19 83.48 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.69 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.9 Cg_exo -61.9 -12.8 27.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 121.99 1.794 . . . . 0.0 112.95 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -91.68 -65.69 0.99 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.271 0.557 . . . . 0.0 109.584 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.91 -170.705 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 120.878 0.371 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 13.2 mm-40 -71.27 -40.26 71.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.004 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.26 86.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.812 0.339 . . . . 0.0 110.246 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -62.37 -39.48 93.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.012 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.536 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 55.4 t80 -66.5 -37.72 85.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.235 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.57 -50.58 73.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.663 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -78.31 -26.64 47.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.379 -175.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.553 ' HG3' ' HG2' ' A' ' 12' ' ' GLN . 10.5 pt-20 -74.18 -46.6 41.09 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.843 -178.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.553 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -79.83 -24.54 41.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -173.527 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.469 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.9 p -58.26 -53.58 56.72 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.059 -0.257 . . . . 0.0 111.126 -174.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.91 -28.79 61.71 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.639 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.1 t -66.32 -40.48 86.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 0.0 110.402 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 90.0 m-20 -70.08 -73.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 54.6 tttm 176.69 84.5 0.01 OUTLIER 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.355 0.409 . . . . 0.0 110.937 169.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.521 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -150.6 143.0 16.0 Favored Pre-proline 0 C--O 1.235 0.312 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.577 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.417 ' O ' HG23 ' A' ' 18' ' ' VAL . 18.8 Cg_exo -65.99 148.22 85.49 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.472 2.115 . . . . 0.0 110.935 171.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.74 -42.08 74.87 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.23 0.468 . . . . 0.0 111.272 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -56.33 -44.1 79.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.995 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.521 ' OE1' ' HB ' ' A' ' 18' ' ' VAL . 35.8 tt0 -64.43 -38.08 89.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.228 177.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.8 t -63.26 -45.36 91.85 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.91 -40.19 94.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -66.19 -32.0 73.17 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.838 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.5 ttp -90.03 -41.36 11.75 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -92.45 -9.23 42.27 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -172.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.602 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.3 p -58.69 -43.73 98.19 Favored Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.602 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.5 Cg_exo -59.63 -11.16 13.4 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 121.863 1.709 . . . . 0.0 113.271 175.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -89.3 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.574 -175.035 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -73.34 -26.87 61.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.09 0.471 . . . . 0.0 110.588 -177.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.4 95.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.613 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -64.68 -32.12 73.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.179 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -64.35 -45.31 88.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.127 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -60.79 -49.94 75.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.315 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.651 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.5 m-85 -70.36 -29.11 65.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.888 -178.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.2 tt0 -75.61 -52.78 9.78 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.813 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -76.59 -21.72 55.21 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -171.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.475 ' O ' HG13 ' A' ' 18' ' ' VAL . 31.7 p -60.04 -55.0 39.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.005 0.431 . . . . 0.0 110.163 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.43 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 4.5 t-20 -70.58 -28.95 65.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.632 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 11' ' ' GLU . 48.0 t -66.44 -44.33 90.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.75 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 15.2 m120 -65.37 -74.69 0.1 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 60.1 tttp 175.25 84.66 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 O-C-N 123.588 0.555 . . . . 0.0 110.469 166.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER -145.21 141.85 17.63 Favored Pre-proline 0 C--O 1.235 0.341 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 172.596 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -68.51 155.31 69.46 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.08 2.52 . . . . 0.0 111.757 170.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -51.59 -43.3 62.43 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.09 -39.87 87.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.37 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -69.07 -36.47 77.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.953 0.406 . . . . 0.0 110.102 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.651 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.5 t -62.41 -43.55 98.55 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -59.89 -36.04 76.1 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.212 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -65.54 -36.25 83.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 0.0 110.81 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.433 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 42.7 ttp -86.93 -42.4 13.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.708 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.9 m -84.64 -18.11 36.45 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -173.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.637 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 58.7 p -62.56 -44.27 86.55 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 78.2 Cg_exo -56.11 -20.68 31.79 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 121.962 1.775 . . . . 0.0 112.566 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 tt -90.71 -63.33 1.29 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.055 -170.628 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.658 0.266 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.45 -32.71 74.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 110.156 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.45 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -62.28 -43.26 99.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.636 176.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -65.08 -34.43 78.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.044 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -65.12 -45.11 86.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.075 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.3 t -56.78 -52.36 65.33 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.537 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.662 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m-85 -70.82 -19.29 62.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.005 -176.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.5 tt0 -79.61 -50.53 10.53 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.641 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -80.56 -22.06 41.13 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -171.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.406 ' O ' HG13 ' A' ' 18' ' ' VAL . 26.9 p -60.29 -54.37 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.198 -0.201 . . . . 0.0 111.123 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -71.72 -28.57 63.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.571 0.224 . . . . 0.0 111.355 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 11' ' ' GLU . 55.7 t -64.01 -35.61 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.739 0.304 . . . . 0.0 110.26 176.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.2 m120 -75.33 -73.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 57.2 tttp 176.25 83.87 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.484 0.49 . . . . 0.0 110.372 170.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -152.47 142.7 15.15 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 172.58 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' O ' HG23 ' A' ' 18' ' ' VAL . 15.7 Cg_exo -68.82 154.73 70.57 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.762 2.308 . . . . 0.0 111.786 170.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -51.0 -46.09 61.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 117.723 0.238 . . . . 0.0 111.325 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.58 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.9 p30 -59.06 -41.37 87.77 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.205 -178.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -67.81 -35.41 78.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.868 0.366 . . . . 0.0 110.519 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.662 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 12.1 t -63.12 -41.38 99.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.28 -33.24 75.09 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.501 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 27.6 mt-30 -65.2 -36.04 82.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.054 0.454 . . . . 0.0 110.419 -175.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.5 ttp -82.85 -48.02 11.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.094 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.27 7.51 40.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -172.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.628 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.0 p -54.57 -46.22 99.28 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-O 119.068 -0.492 . . . . 0.0 112.301 172.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.628 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 53.2 Cg_exo -61.03 -14.6 34.12 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.871 1.714 . . . . 0.0 112.94 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 6' ' ' ALA . 1.9 tt -91.29 -60.53 1.87 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.467 -174.483 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 CA--C 1.523 -0.073 0 CA-C-O 120.426 0.155 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.443 ' HG3' HD21 ' A' ' 30' ' ' LEU . 2.8 pt20 -65.44 -34.27 77.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.956 0.408 . . . . 0.0 110.507 -178.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.29 -43.96 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.213 174.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HZ3' ' HB3' ' A' ' 11' ' ' GLU . 26.6 tptp -59.38 -39.36 83.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.366 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.451 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 53.0 t80 -66.44 -38.84 88.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.747 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.62 -45.25 94.72 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.305 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.523 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 70.3 m-85 -74.33 -40.13 62.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.364 -176.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.8 pt-20 -71.62 -36.34 70.75 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.38 -176.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.437 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -67.47 -23.32 65.49 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.172 177.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.439 ' O ' HG13 ' A' ' 18' ' ' VAL . 51.0 m -57.39 -54.36 47.68 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.88 176.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -72.63 -27.81 62.36 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.957 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 11' ' ' GLU . 72.6 t -65.9 -37.74 80.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.527 176.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.593 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 13.8 m120 -81.32 -77.42 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.962 178.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 31.7 mttm 172.96 85.77 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.339 1.056 . . . . 0.0 109.961 169.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -160.27 129.81 3.29 Favored Pre-proline 0 CA--C 1.537 0.451 0 O-C-N 121.898 -0.501 . . . . 0.0 110.929 177.505 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 25.9 Cg_exo -63.23 151.59 84.08 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.392 2.728 . . . . 0.0 112.59 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -54.15 -45.53 72.04 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -174.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -60.78 -38.52 85.58 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.693 0.282 . . . . 0.0 111.296 -176.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -71.95 -36.36 69.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.319 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 30.8 t -62.12 -39.82 93.8 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.98 -29.39 65.19 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.6 177.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -75.16 -27.84 59.85 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.551 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 43.7 ttp -90.74 -46.1 8.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.865 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.7 m -84.41 -2.2 56.78 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.627 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 2.7 p -58.99 -49.88 90.95 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.627 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.0 Cg_exo -58.22 -16.59 28.62 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 121.839 1.693 . . . . 0.0 112.658 177.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.443 HD21 ' HG3' ' A' ' 5' ' ' GLN . 2.4 tt -90.55 -64.38 1.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.896 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.011 -172.29 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.136 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -77.49 -28.46 52.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.335 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.64 89.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.507 176.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.24 -35.21 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.638 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -66.9 -41.66 86.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.031 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.8 t -61.12 -48.69 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.203 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -72.17 -22.25 61.32 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -87.89 -43.49 11.76 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.514 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -81.79 -17.9 45.99 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -175.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.1 p -56.54 -55.32 35.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -70.62 -28.18 64.64 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.498 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.3 t -65.27 -40.5 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.743 0.306 . . . . 0.0 110.659 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -69.04 -74.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.552 ' O ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.93 85.29 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.898 0.749 . . . . 0.0 110.322 169.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -149.69 144.2 17.54 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 121.278 -0.889 . . . . 0.0 109.763 173.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -68.4 154.92 70.88 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.906 2.404 . . . . 0.0 111.484 168.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -51.66 -45.53 63.43 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.871 0.305 . . . . 0.0 111.555 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 5.5 p-10 -59.16 -39.93 84.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.699 0.285 . . . . 0.0 111.027 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -66.57 -37.85 85.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.85 0.357 . . . . 0.0 110.468 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.0 t -59.85 -44.76 93.94 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.94 -40.93 95.16 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.249 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 51.2 mt-30 -62.31 -39.37 92.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.809 0.338 . . . . 0.0 111.108 -174.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.9 ttp -83.19 -45.83 13.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.898 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.9 m -86.26 -15.82 39.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -172.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.665 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 38.9 p -62.97 -47.2 87.07 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.665 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 53.0 Cg_exo -60.46 -15.22 34.66 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 121.946 1.764 . . . . 0.0 112.788 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.56 -59.08 2.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.055 -174.472 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.499 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 120.679 0.276 . . . . 0.0 111.588 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.62 -29.22 69.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.797 0.332 . . . . 0.0 110.965 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.13 -32.92 74.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.693 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -61.04 -32.09 71.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.072 177.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.498 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 80.3 t80 -67.59 -36.23 80.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.432 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.3 t -62.97 -50.71 69.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.948 0.404 . . . . 0.0 110.05 174.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.511 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 46.1 m-85 -65.26 -26.49 68.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.023 -176.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 15' ' ' VAL . 10.6 pt-20 -78.88 -50.4 11.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.54 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.47 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -73.06 -25.78 61.04 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -174.615 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -59.53 -47.61 84.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.909 0.385 . . . . 0.0 110.336 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -74.55 -28.96 61.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 178.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.7 t -68.19 -40.61 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.682 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 12.2 m120 -70.51 -76.39 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 20.5 mttm 173.27 85.89 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.829 0.852 . . . . 0.0 110.36 168.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -143.15 143.63 25.45 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.75 153.63 71.14 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.63 2.22 . . . . 0.0 111.171 171.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.07 -43.17 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.749 0.249 . . . . 0.0 110.949 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -57.58 -40.75 79.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.646 0.26 . . . . 0.0 110.915 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -65.7 -41.76 91.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.521 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.511 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.2 t -60.53 -43.55 97.04 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.81 -45.75 92.51 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.352 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -64.86 -31.3 72.46 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.36 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.0 ttp -78.35 -50.3 12.01 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.585 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.7 m -107.16 5.63 27.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -171.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.687 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.8 p -59.58 -47.13 98.4 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.235 170.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.687 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 32.2 Cg_exo -63.94 -15.11 47.24 Favored 'Trans proline' 0 C--N 1.364 1.346 0 C-N-CA 121.971 1.781 . . . . 0.0 112.836 174.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.3 -56.28 4.69 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.629 -174.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 N--CA 1.461 0.121 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.48 -38.68 81.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.33 0.586 . . . . 0.0 110.242 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.19 -39.63 75.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.184 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -64.13 -36.55 84.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.266 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.46 -40.5 96.83 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.172 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t -63.97 -50.49 68.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.362 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.607 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m-85 -64.32 -24.19 67.56 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.884 0.373 . . . . 0.0 111.445 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 15' ' ' VAL . 9.3 tp10 -73.41 -62.48 1.46 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.12 0.486 . . . . 0.0 110.185 176.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -72.64 -20.12 61.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -171.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 31.9 p -59.17 -60.98 3.0 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.416 -174.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.531 HD22 ' H ' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -70.77 -27.89 64.26 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.901 -0.319 . . . . 0.0 111.131 178.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 11' ' ' GLU . 41.4 t -58.6 -43.06 86.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 O-C-N 123.138 0.274 . . . . 0.0 110.57 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -70.26 -74.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 22.6 pttp 176.68 84.47 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.646 0.591 . . . . 0.0 110.786 169.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -146.2 141.13 16.14 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 121.565 -0.71 . . . . 0.0 109.523 173.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.66 155.18 70.42 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.946 2.431 . . . . 0.0 111.362 169.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -52.41 -44.05 65.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 117.952 0.342 . . . . 0.0 111.636 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -59.55 -39.85 85.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.718 0.294 . . . . 0.0 110.711 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.27 -39.27 89.31 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.822 0.344 . . . . 0.0 110.211 176.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.607 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 34.9 t -60.76 -44.9 96.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -59.89 -40.71 89.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -68.98 -27.48 65.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.521 -173.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.2 ttp -90.33 -47.57 7.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.706 0.289 . . . . 0.0 111.39 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.0 m -77.11 -26.85 53.75 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.574 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 47.2 t -64.9 -54.55 34.15 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 120.211 -0.595 . . . . 0.0 111.451 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 55.6 Cg_exo -57.66 -21.35 46.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.116 1.877 . . . . 0.0 112.968 175.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.6 -57.21 5.46 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.269 -177.007 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.587 0.232 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -65.19 -31.21 72.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.124 0.487 . . . . 0.0 110.264 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.68 85.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.586 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -65.3 -32.52 74.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.775 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -64.48 -41.16 96.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.182 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 t -60.99 -48.57 81.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.869 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.2 m-85 -68.63 -29.28 67.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.99 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 15' ' ' VAL . 34.8 tt0 -72.56 -48.8 37.1 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.59 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.554 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.78 -25.24 38.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -171.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' HG13 ' A' ' 18' ' ' VAL . 31.4 p -56.73 -56.36 22.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.608 0.242 . . . . 0.0 110.989 -175.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.708 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -71.76 -27.05 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.708 ' N ' HD22 ' A' ' 14' ' ' ASN . 49.8 t -66.2 -36.74 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.625 0.25 . . . . 0.0 110.462 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -72.45 -75.58 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.58 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER 176.95 84.96 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 O-C-N 123.647 0.592 . . . . 0.0 110.5 168.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER -147.09 140.77 15.24 Favored Pre-proline 0 C--O 1.235 0.298 0 O-C-N 121.076 -1.015 . . . . 0.0 109.662 173.603 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.76 153.1 79.6 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.951 2.434 . . . . 0.0 111.743 172.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -54.67 -45.63 73.9 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.587 0.218 . . . . 0.0 111.587 -175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.92 -36.13 76.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.179 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.51 -40.35 73.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.783 0.325 . . . . 0.0 110.296 175.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 28.9 t -61.08 -43.25 99.17 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -60.2 -37.83 81.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.27 177.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -72.17 -28.48 63.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.1 ttp -90.37 -47.75 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.8 m -83.11 -20.57 34.59 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -172.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.508 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 27.8 t -62.22 -52.93 63.18 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 121.828 -0.545 . . . . 0.0 111.982 178.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.508 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 78.2 Cg_exo -56.02 -21.57 34.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 122.204 1.936 . . . . 0.0 113.101 175.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -75.01 -50.13 17.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 177.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.694 -173.602 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.306 0.098 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -68.29 -33.39 74.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.329 -178.679 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 5' ' ' GLN . . . -67.36 -37.14 82.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.227 175.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -66.18 -29.9 70.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.835 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.49 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 74.6 t80 -66.71 -42.54 86.22 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.189 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 t -53.96 -53.33 54.37 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.033 0.444 . . . . 0.0 110.372 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.46 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 67.8 m-85 -65.33 -34.51 78.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.323 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.7 tp10 -59.59 -50.6 73.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.284 177.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 24.3 mm-40 -61.07 -27.34 68.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.604 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.469 ' HB3' HG22 ' A' ' 18' ' ' VAL . 59.4 m -61.84 -52.04 65.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.127 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -75.63 -28.0 58.64 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.864 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 11' ' ' GLU . 52.9 t -61.71 -43.02 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.686 175.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -86.0 -78.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.613 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.5 tptt 173.38 86.88 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.076 0.55 . . . . 0.0 109.807 174.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.469 HG22 ' HB3' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -154.66 131.92 6.2 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 121.627 -0.671 . . . . 0.0 110.046 175.051 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.0 150.8 84.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.058 2.506 . . . . 0.0 111.879 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -57.59 -41.07 80.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.405 0.145 . . . . 0.0 111.071 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -58.9 -38.32 78.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.769 0.319 . . . . 0.0 111.363 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -75.16 -41.26 58.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.521 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 10.2 t -62.64 -36.42 82.76 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.165 0.507 . . . . 0.0 109.861 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.4 -32.92 71.78 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.273 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -76.3 -18.25 59.05 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.776 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.4 ttp -90.18 -44.95 9.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.829 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.3 m -106.99 6.29 28.96 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -174.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.633 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 8.0 p -59.88 -43.63 95.18 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.803 168.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.633 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.8 Cg_exo -60.93 -11.13 16.82 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 121.893 1.729 . . . . 0.0 112.498 173.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt -90.31 -70.34 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.47 -175.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 120.627 0.251 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -69.8 -36.99 76.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.044 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.34 80.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.711 0.291 . . . . 0.0 110.475 175.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -63.73 -35.85 81.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.863 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.7 -40.25 94.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.346 176.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.8 t -64.41 -50.22 68.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.92 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.51 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 49.9 m-85 -65.46 -25.72 67.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.702 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 34.2 tt0 -80.33 -51.61 8.67 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.626 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.426 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -78.67 -19.83 51.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.431 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.9 p -56.73 -55.86 28.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.679 0.276 . . . . 0.0 110.596 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -74.42 -31.23 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.64 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' GLU . 73.4 t -62.92 -43.88 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.484 0.183 . . . . 0.0 110.525 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 92.8 m-20 -66.22 -74.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 82.2 tttt 175.94 85.1 0.0 OUTLIER 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.516 0.51 . . . . 0.0 110.744 168.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -147.19 143.34 18.04 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 171.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.91 155.11 72.22 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.886 2.391 . . . . 0.0 111.233 169.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -52.54 -43.75 65.37 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.147 0.43 . . . . 0.0 111.63 -177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -57.67 -36.47 71.95 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.737 0.303 . . . . 0.0 110.907 -178.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -71.71 -35.69 70.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.835 0.35 . . . . 0.0 110.713 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.5 t -65.74 -42.71 90.66 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -65.33 -27.34 68.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.467 0.651 . . . . 0.0 110.604 175.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -74.23 -39.63 62.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.346 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 38.2 ttp -91.61 -53.02 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 61.5 m -79.92 -31.09 40.12 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -169.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.443 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 21.4 m -63.59 -46.8 83.46 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -176.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 84.6 Cg_exo -53.95 -31.24 62.47 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 122.016 1.811 . . . . 0.0 112.814 173.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 3.7 tt -64.89 -50.39 66.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.577 0.703 . . . . 0.0 109.105 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.838 -173.61 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.753 0.311 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -64.35 -41.89 96.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.854 0.359 . . . . 0.0 110.538 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.73 97.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.13 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -64.67 -36.87 85.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.53 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -65.01 -41.47 95.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.246 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 t -62.82 -50.99 68.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.223 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.502 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 59.2 m-85 -66.28 -24.82 66.63 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.397 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 15' ' ' VAL . 31.4 tt0 -75.05 -56.77 4.4 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.25 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.542 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -73.17 -22.31 60.52 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -170.405 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 p -58.84 -52.95 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.287 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -79.32 -28.16 42.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.131 -0.227 . . . . 0.0 111.358 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 11' ' ' GLU . 76.7 t -64.15 -34.71 70.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 120.702 0.287 . . . . 0.0 110.643 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 12.9 m120 -76.63 -74.84 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.86 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 41.3 tptt 175.2 86.28 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.493 0.496 . . . . 0.0 110.098 170.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 m -147.27 144.83 20.2 Favored Pre-proline 0 C--O 1.235 0.339 0 CA-C-N 118.346 0.521 . . . . 0.0 109.784 173.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.46 155.12 71.67 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.876 2.384 . . . . 0.0 111.351 169.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -53.52 -43.53 68.4 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 117.795 0.27 . . . . 0.0 111.228 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -56.89 -38.09 72.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.246 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -68.58 -39.28 81.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.297 . . . . 0.0 110.654 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.6 t -63.69 -41.3 98.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -61.01 -32.2 71.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.96 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -72.35 -34.13 67.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.504 -175.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 56.8 mtm -91.55 -52.39 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.63 -0.428 . . . . 0.0 112.123 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.6 m -78.85 -31.5 45.69 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -168.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.539 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 23.0 m -67.14 -50.31 41.35 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.305 -0.558 . . . . 0.0 112.325 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 72.9 Cg_exo -56.99 -28.31 77.68 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 121.768 1.645 . . . . 0.0 112.523 173.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.79 -60.47 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.858 -176.27 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.819 0.342 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -70.17 -34.94 73.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.885 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.98 99.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.173 175.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -64.12 -37.14 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.014 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -66.8 -39.13 87.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.022 176.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.4 t -64.36 -54.19 36.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.425 -179.098 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.468 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.7 m-85 -65.69 -30.15 70.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 -179.142 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -69.25 -60.95 2.01 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.147 0.498 . . . . 0.0 110.169 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.455 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -76.89 -20.19 56.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 -171.6 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 31.3 p -54.81 -58.9 5.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 118.07 0.396 . . . . 0.0 111.137 -175.543 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.438 HD22 ' H ' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -72.42 -28.06 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.393 179.245 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.56 -44.27 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.5 m120 -63.26 -73.22 0.12 Allowed 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.256 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.2 tttt 175.25 85.4 0.0 OUTLIER 'General case' 0 C--O 1.231 0.128 0 O-C-N 123.672 0.607 . . . . 0.0 110.233 165.508 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -146.57 142.53 17.45 Favored Pre-proline 0 C--O 1.236 0.376 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 21.2 Cg_exo -66.58 154.87 72.82 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.798 2.332 . . . . 0.0 111.308 169.363 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -54.44 -43.08 71.3 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.271 0.487 . . . . 0.0 111.707 -174.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.533 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 7.3 p-10 -59.58 -39.05 82.88 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.671 0.272 . . . . 0.0 110.689 -178.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -65.98 -38.39 88.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.926 0.393 . . . . 0.0 110.334 175.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 23.9 t -63.23 -42.11 99.19 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.723 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.4 -28.21 69.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.509 177.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 78.1 mt-30 -69.6 -40.82 76.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.907 0.384 . . . . 0.0 110.345 -178.481 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.9 ttp -90.74 -51.23 5.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.197 -175.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.6 m -77.6 -30.1 52.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -169.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.467 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 66.6 m -63.28 -48.7 82.3 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 72.3 Cg_exo -55.18 -36.27 92.84 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.923 1.749 . . . . 0.0 112.687 172.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.479 ' O ' HD23 ' A' ' 30' ' ' LEU . 4.0 tt -63.4 -45.48 90.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.602 0.715 . . . . 0.0 109.43 176.745 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--N 1.317 -0.837 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.993 -173.438 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.466 0.174 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -67.71 -31.71 71.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.145 0.498 . . . . 0.0 110.164 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.99 82.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.246 175.031 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -64.64 -35.58 81.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.959 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -62.66 -41.52 99.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.018 0.437 . . . . 0.0 110.141 176.149 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 t -62.59 -50.47 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.129 179.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -68.27 -32.09 72.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.505 -179.725 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 15' ' ' VAL . 34.3 tt0 -68.96 -52.84 24.79 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.277 178.111 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -21.96 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -172.067 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.452 ' O ' HG13 ' A' ' 18' ' ' VAL . 26.1 p -58.17 -56.76 17.89 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.761 -174.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.671 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -75.17 -27.21 59.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.21 -0.307 . . . . 0.0 111.784 178.542 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.671 ' N ' HD22 ' A' ' 14' ' ' ASN . 52.5 t -61.39 -41.52 90.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 177.238 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 80.3 m-20 -73.28 -75.56 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.984 178.589 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.7 tttt 174.61 85.69 0.0 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.554 0.534 . . . . 0.0 110.014 174.397 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER -150.35 143.22 16.3 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-N 118.367 0.531 . . . . 0.0 109.758 174.501 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.31 155.15 70.31 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 123.06 2.507 . . . . 0.0 111.788 170.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -51.48 -43.85 62.28 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 117.61 0.186 . . . . 0.0 111.428 -178.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -58.87 -39.81 82.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.826 -0.17 . . . . 0.0 111.222 -178.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.536 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 8.4 tt0 -70.52 -36.86 73.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.689 0.28 . . . . 0.0 110.512 176.698 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 t -61.61 -45.1 95.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.439 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.12 -40.19 95.66 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.735 178.012 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 11.2 pt20 -69.01 -28.08 66.27 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.93 0.395 . . . . 0.0 110.749 -173.615 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.4 ttp -91.1 -50.3 5.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.8 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.94 -26.55 31.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -171.142 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.46 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 25.2 t -63.35 -49.02 81.15 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.902 -179.015 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 83.1 Cg_exo -52.87 -27.68 35.93 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 121.991 1.794 . . . . 0.0 112.904 175.064 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -75.65 -62.56 1.54 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 176.467 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.27 -174.415 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.59 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.151 0 CA-C-O 120.593 0.235 . . . . 0.0 111.052 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -65.33 -30.06 70.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.041 0.448 . . . . 0.0 110.542 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.97 87.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.183 175.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -64.09 -37.69 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.758 177.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.61 -43.12 99.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.294 177.279 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.82 -50.06 75.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.932 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.735 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.2 m-85 -68.07 -38.76 82.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.933 -178.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 15' ' ' VAL . 29.5 tt0 -69.31 -39.46 78.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.848 -175.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -19.57 60.25 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.289 -0.257 . . . . 0.0 111.347 -178.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.598 ' HB3' HG22 ' A' ' 18' ' ' VAL . 34.8 m -54.35 -53.79 49.18 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.186 0.304 . . . . 0.0 111.699 179.339 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -78.98 -27.77 43.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.679 0.276 . . . . 0.0 110.877 -178.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.4 t -62.61 -36.36 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.197 175.735 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.591 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 12.1 m120 -81.33 -79.13 0.17 Allowed 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 119.866 -0.733 . . . . 0.0 109.533 176.284 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 67.9 tttt 170.87 85.86 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.653 0.595 . . . . 0.0 109.892 168.649 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -148.8 147.22 23.79 Favored Pre-proline 0 N--CA 1.471 0.59 0 CA-C-N 119.078 0.854 . . . . 0.0 109.976 176.161 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.491 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.0 Cg_exo -64.38 144.19 84.96 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.896 2.398 . . . . 0.0 110.986 171.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -59.71 -37.61 79.34 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.46 -175.225 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.53 -37.09 85.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.252 . . . . 0.0 110.897 178.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.496 ' O ' ' HB3' ' A' ' 25' ' ' GLN . 45.4 tt0 -66.78 -34.77 78.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.38 . . . . 0.0 110.025 173.376 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.735 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 18.6 t -63.92 -42.38 97.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.316 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -57.9 -36.06 71.9 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.589 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.496 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 41.1 tt0 -63.63 -43.86 95.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.008 0.432 . . . . 0.0 110.739 -178.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 44.1 ttp -84.69 -42.96 14.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.305 -174.193 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 60.2 m -84.26 -13.35 52.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -173.417 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.69 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.4 p -62.47 -49.98 81.0 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -178.273 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.69 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 54.7 Cg_exo -56.07 -30.98 81.05 Favored 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 121.892 1.728 . . . . 0.0 112.652 178.727 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.37 -60.14 3.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.158 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.779 -174.448 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.528 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.618 0.247 . . . . 0.0 111.034 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.35 -39.68 92.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.109 0.48 . . . . 0.0 110.418 178.272 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.43 98.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.588 177.885 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.7 -36.78 85.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.091 -179.521 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -65.88 -41.93 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.308 177.086 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.5 t -60.02 -50.01 75.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.266 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -65.32 -39.28 92.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.551 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -63.8 -44.6 92.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 0.0 110.795 -178.347 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.531 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -72.48 -19.01 61.62 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.345 -176.637 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.1 m -55.67 -57.09 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.583 -178.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.01 -37.41 79.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.565 178.557 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.491 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.6 m120 -87.66 -77.55 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.594 -179.849 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 54.9 tttm 173.12 85.71 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.527 0.517 . . . . 0.0 110.214 171.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -162.38 124.85 1.71 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 121.615 -0.678 . . . . 0.0 111.107 175.423 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.25 148.83 68.07 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.332 2.688 . . . . 0.0 112.877 178.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -53.75 -46.76 70.99 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.067 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -64.45 -41.32 96.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.553 0.216 . . . . 0.0 111.044 -175.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.5 -34.96 75.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 109.919 176.102 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 t -59.33 -41.74 89.84 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.92 174.272 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -55.39 -35.71 65.6 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.3 176.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.584 HE21 ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -71.62 -26.24 62.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.957 -175.301 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 49.9 ttp -90.81 -48.57 6.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.28 178.063 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.7 m -78.15 -25.6 47.36 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -173.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.509 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 13.8 t -61.17 -49.07 89.96 Favored Pre-proline 0 CA--C 1.539 0.533 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.604 -179.49 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 81.0 Cg_exo -52.49 -32.43 52.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.279 1.986 . . . . 0.0 113.232 174.574 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 30' ' ' LEU . 3.4 tt -67.34 -48.47 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 176.248 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 . . . . . 0 C--N 1.318 -0.763 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.337 -173.882 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.736 0.303 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -64.34 -37.2 86.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.236 0.541 . . . . 0.0 110.163 177.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.67 95.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.312 177.55 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -67.45 -35.65 79.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.269 -178.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.575 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 78.3 t80 -65.7 -41.71 92.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.438 . . . . 0.0 110.198 175.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.47 -47.57 85.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.988 177.661 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.567 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 40.4 m-85 -70.94 -20.97 62.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.133 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 5.9 pt-20 -82.99 -45.83 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.656 179.744 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.561 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.03 -25.89 40.02 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -174.666 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.8 p -56.1 -49.92 72.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.639 0.257 . . . . 0.0 111.202 -175.019 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -72.51 -29.33 63.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.556 0.217 . . . . 0.0 111.386 178.308 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 11' ' ' GLU . 71.6 t -68.59 -36.99 77.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.391 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.32 -77.48 0.1 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.46 85.02 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.602 0.564 . . . . 0.0 110.502 171.356 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -150.35 148.34 23.97 Favored Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 121.179 -0.951 . . . . 0.0 110.166 176.644 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 18' ' ' VAL . 49.0 Cg_endo -73.57 153.75 49.55 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.724 2.283 . . . . 0.0 111.412 171.016 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.84 -42.68 68.75 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 117.981 0.355 . . . . 0.0 111.375 -176.071 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -58.59 -41.8 86.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.075 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.479 ' HA ' HE21 ' A' ' 25' ' ' GLN . 50.0 tt0 -67.23 -37.34 83.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.248 176.021 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 22.7 t -61.04 -43.47 98.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.564 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -62.22 -37.09 84.05 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.265 177.045 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.479 HE21 ' HA ' ' A' ' 22' ' ' GLN . 46.7 mt-30 -66.33 -40.75 90.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -176.365 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.8 ttp -81.57 -40.68 22.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.746 -176.451 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.2 m -84.15 -16.99 41.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.071 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.709 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.1 p -63.0 -51.89 67.41 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -177.549 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.709 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -59.64 -20.92 60.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 C-N-CA 121.876 1.717 . . . . 0.0 112.595 178.168 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 tt -73.5 -55.78 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.064 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.118 -177.338 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.458 0.171 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -70.16 -35.83 74.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.106 0.479 . . . . 0.0 110.193 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.81 83.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.251 177.188 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -64.46 -35.15 80.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.113 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.92 -40.25 91.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.285 176.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.9 t -61.38 -48.82 79.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.343 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -69.85 -23.08 63.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.413 179.484 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.2 tp10 -73.16 -62.91 1.3 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.11 0.481 . . . . 0.0 110.303 179.09 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.496 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -74.28 -18.65 60.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.472 -170.796 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 22.7 p -56.66 -57.37 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.47 0.176 . . . . 0.0 110.83 -175.731 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.417 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 3.3 p-10 -76.29 -28.56 57.06 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 121.106 -0.237 . . . . 0.0 111.194 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 11' ' ' GLU . 77.3 t -61.74 -42.93 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.469 178.866 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 83.2 m-20 -71.83 -74.4 0.16 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.014 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.574 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 177.37 83.91 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 O-C-N 123.639 0.587 . . . . 0.0 111.188 166.738 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.22 143.11 16.24 Favored Pre-proline 0 N--CA 1.464 0.255 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 171.151 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.62 152.77 80.59 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.805 2.336 . . . . 0.0 111.54 172.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -58.84 -38.63 79.14 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -178.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -61.76 -31.24 71.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.998 0.428 . . . . 0.0 110.242 178.02 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -75.17 -38.13 60.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.99 175.109 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 61.1 m -55.29 -42.77 74.05 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.389 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -58.97 -40.71 85.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.812 -179.532 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -73.47 -26.3 60.86 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.535 -173.335 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.1 ttp -91.63 -48.88 6.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.81 0.338 . . . . 0.0 111.546 177.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.9 m -83.43 -31.94 26.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -170.408 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.514 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 74.8 m -64.07 -51.94 59.28 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.03 -179.072 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.514 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 80.2 Cg_exo -52.63 -43.39 55.64 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.0 1.8 . . . . 0.0 112.106 172.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -51.46 -55.68 17.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.455 175.624 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.664 -173.76 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.778 0.323 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.504 HE21 ' HA ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -68.98 -44.53 72.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.403 179.869 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.53 -43.82 96.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.446 177.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -66.91 -33.33 75.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.12 -177.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -69.15 -42.54 75.8 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.274 177.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.5 t -61.64 -47.19 86.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.253 178.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.592 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.8 m-85 -71.42 -18.91 62.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.628 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 15' ' ' VAL . 27.9 tp10 -74.54 -64.07 1.11 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.334 0.587 . . . . 0.0 110.331 177.793 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.542 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -70.97 -18.46 62.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.226 -169.362 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 31.6 p -61.58 -57.03 13.68 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.762 -176.693 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.407 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.1 p-10 -73.31 -28.66 62.21 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.452 -0.155 . . . . 0.0 111.352 178.356 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 11' ' ' GLU . 64.7 t -62.31 -36.08 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.482 178.141 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.445 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 13.2 m120 -76.92 -76.62 0.16 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.392 176.224 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.586 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.99 86.38 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.669 0.605 . . . . 0.0 110.456 167.073 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -142.91 142.32 21.93 Favored Pre-proline 0 C--O 1.237 0.406 0 O-C-N 121.074 -1.016 . . . . 0.0 109.951 174.127 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -62.08 153.27 70.33 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.933 2.422 . . . . 0.0 111.519 171.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -55.72 -43.25 76.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.806 0.276 . . . . 0.0 111.457 -175.76 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.72 -38.66 85.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.5 0.191 . . . . 0.0 110.973 -178.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.584 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 45.2 tt0 -68.04 -37.86 81.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 110.082 176.366 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.592 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 31.1 t -62.08 -43.08 99.61 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.82 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -62.8 -40.96 98.97 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.394 176.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 5.0 pt20 -69.62 -28.53 66.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.637 0.256 . . . . 0.0 111.012 -172.317 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.468 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 31.5 ttp -86.86 -43.65 12.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.653 0.263 . . . . 0.0 111.327 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.0 m -83.42 -8.4 59.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -176.7 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.71 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 14.6 p -62.19 -49.78 83.01 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.71 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.3 Cg_exo -59.68 -11.49 14.64 Favored 'Trans proline' 0 C--N 1.361 1.209 0 C-N-CA 122.118 1.878 . . . . 0.0 112.801 178.345 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -90.44 -63.49 1.27 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.165 -171.527 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.635 0.255 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -68.17 -31.26 70.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.962 0.411 . . . . 0.0 110.588 -176.601 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -39.96 81.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.128 176.101 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -63.06 -35.59 80.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.014 178.349 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -61.72 -43.98 97.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.523 177.274 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.4 t -61.98 -46.24 90.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.044 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.548 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 46.8 m-85 -68.88 -36.61 78.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.837 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.539 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.3 tt0 -72.57 -39.86 67.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.68 -178.111 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -64.39 -23.3 67.24 Favored 'General case' 0 CA--C 1.521 -0.137 0 O-C-N 122.265 -0.272 . . . . 0.0 110.551 177.341 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.539 ' HB3' HG22 ' A' ' 18' ' ' VAL . 53.4 m -59.55 -49.91 75.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.243 178.348 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.22 -28.6 38.56 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.98 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 11' ' ' GLU . 68.8 t -62.15 -51.12 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.62 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.545 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.4 m120 -75.82 -78.91 0.11 Allowed 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.065 -177.645 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 55.0 tttm 171.55 86.61 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.97 0.508 . . . . 0.0 110.649 167.755 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.539 HG22 ' HB3' ' A' ' 13' ' ' CYS . 1.5 m -145.0 140.53 16.27 Favored Pre-proline 0 C--O 1.236 0.353 0 O-C-N 121.521 -0.737 . . . . 0.0 110.053 174.084 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 18' ' ' VAL . 29.3 Cg_exo -61.53 144.52 97.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.953 2.435 . . . . 0.0 111.033 173.49 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -60.91 -37.25 81.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.709 -175.671 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.74 -37.12 85.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.907 0.384 . . . . 0.0 110.318 178.513 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -70.37 -37.71 74.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.201 174.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.9 t -63.44 -38.9 92.93 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.088 0.47 . . . . 0.0 110.015 178.483 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -62.28 -24.43 67.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.858 176.146 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -79.9 -31.7 40.25 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.74 -179.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 45.0 ttp -90.29 -49.12 6.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.039 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.1 m -87.37 -11.75 48.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -170.753 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.649 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 77.2 p -65.16 -45.56 72.2 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.769 -178.29 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.649 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.6 Cg_exo -60.05 -15.73 35.29 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 121.882 1.722 . . . . 0.0 112.966 177.551 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' O ' HD23 ' A' ' 30' ' ' LEU . 4.1 tt -74.49 -49.77 20.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.922 -175.175 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.578 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.333 0.111 . . . . 0.0 111.235 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -63.52 -26.83 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.15 0.5 . . . . 0.0 110.167 -179.685 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.36 91.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.41 176.322 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -64.98 -32.21 73.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.059 178.721 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -69.25 -41.56 76.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.119 177.463 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -62.37 -49.74 74.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.253 178.391 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.0 m-85 -68.52 -18.93 64.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.738 -178.808 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.2 tp10 -83.32 -62.22 1.64 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.296 176.435 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.449 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -66.06 -20.22 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.343 -172.692 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 26.0 p -57.46 -53.39 58.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.842 0.354 . . . . 0.0 110.233 178.795 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.413 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 15.1 m120 -74.05 -31.62 62.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.912 178.807 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 11' ' ' GLU . 87.1 t -63.69 -38.16 81.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.164 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.48 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.2 m120 -72.88 -76.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 87.8 tttt 174.09 85.94 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.114 0 O-C-N 123.398 0.436 . . . . 0.0 110.092 171.465 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 13' ' ' CYS . 2.0 m -145.93 142.29 17.65 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 121.718 -0.614 . . . . 0.0 110.216 175.699 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -67.13 155.86 68.85 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.029 2.486 . . . . 0.0 111.633 169.277 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -49.46 -45.99 47.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.968 0.349 . . . . 0.0 111.659 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.14 -36.18 72.6 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.885 0.374 . . . . 0.0 110.71 -178.256 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -71.22 -41.6 69.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.263 176.731 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.9 t -61.0 -45.7 93.76 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.564 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -62.32 -43.97 97.58 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.454 177.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -69.71 -23.26 63.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.951 -170.586 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.5 ttp -90.33 -46.92 8.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.521 177.065 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 37.8 m -83.57 -21.79 32.54 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -172.72 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.637 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 63.2 p -62.64 -43.85 84.95 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.541 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 62.0 Cg_exo -57.96 -23.94 62.58 Favored 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 121.869 1.713 . . . . 0.0 112.678 174.151 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tt -81.31 -59.98 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.77 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.856 -174.498 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.465 ' NE2' ' H ' ' A' ' 5' ' ' GLN . 2.0 mp0 -59.86 -40.21 87.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.992 0.425 . . . . 0.0 110.729 178.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.444 ' O ' ' HD2' ' A' ' 10' ' ' TYR . . . -66.38 -41.5 89.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.573 178.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -63.46 -34.47 77.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.213 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -65.68 -43.08 90.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.148 177.241 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.81 -52.45 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.157 176.07 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.583 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 40.1 m-85 -61.15 -27.05 68.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.516 -179.203 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -68.27 -58.86 3.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.098 0.475 . . . . 0.0 110.513 175.825 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -80.76 -23.49 39.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -171.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 30.4 p -58.1 -54.84 42.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.012 0.369 . . . . 0.0 111.444 -174.229 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.07 -28.24 67.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.785 0.326 . . . . 0.0 111.006 178.133 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.73 -41.64 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.758 179.029 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 12.3 m120 -70.89 -75.01 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.17 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.548 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 177.61 84.28 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.494 171.363 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -151.38 140.62 13.82 Favored Pre-proline 0 C--O 1.235 0.327 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 171.661 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.471 ' HD2' ' OE1' ' A' ' 22' ' ' GLN . 23.5 Cg_exo -64.34 150.89 87.44 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.759 2.306 . . . . 0.0 111.485 171.073 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -55.34 -43.76 75.27 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 121.278 -0.169 . . . . 0.0 111.347 -177.462 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.06 -31.41 72.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.756 0.312 . . . . 0.0 110.773 -178.363 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.471 ' OE1' ' HD2' ' A' ' 19' ' ' PRO . 45.2 tt0 -73.0 -38.89 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.139 175.421 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.583 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.6 t -63.29 -41.18 98.95 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.608 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 11.0 t80 -63.29 -36.16 82.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.085 175.777 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -68.69 -35.72 77.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.816 -173.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.4 ttp -89.84 -50.29 6.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.265 -175.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.03 4.49 39.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -168.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.539 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 22.8 t -68.1 -49.3 35.58 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 119.516 -0.873 . . . . 0.0 110.438 168.254 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 51.7 Cg_exo -59.35 -22.41 65.4 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.15 1.9 . . . . 0.0 112.929 174.731 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 30' ' ' LEU . 5.6 tt -60.55 -46.88 88.56 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.305 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.322 -179.37 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 . . . . . 0 C--O 1.235 0.293 0 CA-C-O 120.517 0.199 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -68.66 -34.0 74.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.862 0.363 . . . . 0.0 110.708 178.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.1 96.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.461 176.078 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -63.93 -35.64 81.33 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.435 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 79.0 t80 -64.48 -43.07 95.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.181 176.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t -56.21 -49.77 73.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.748 179.056 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.563 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 71.3 m-85 -70.69 -35.51 72.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.549 -179.27 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 15' ' ' VAL . 46.0 tt0 -64.86 -42.35 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.08 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 32.4 mm-40 -70.87 -20.09 62.56 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.971 -177.355 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.2 m -60.2 -56.34 22.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.958 177.536 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -71.66 -28.02 63.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.771 -178.252 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 11' ' ' GLU . 48.0 t -58.66 -40.03 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.725 176.399 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 42.0 m-80 -86.38 -76.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.401 177.751 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.8 tttt 175.28 85.86 0.0 OUTLIER 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.533 0.52 . . . . 0.0 110.155 171.226 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -161.06 127.34 2.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.196 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.28 154.06 60.93 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.307 2.671 . . . . 0.0 112.845 176.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -54.94 -46.61 75.0 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.567 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.4 -40.09 93.1 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.916 0.389 . . . . 0.0 110.666 -177.8 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -70.12 -33.49 71.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.326 176.628 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.7 t -64.81 -38.73 91.97 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.652 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -59.33 -34.43 72.33 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.247 174.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.88 -41.4 95.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.863 0.363 . . . . 0.0 110.256 -178.313 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.435 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 44.5 ttp -88.55 -38.22 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.133 -177.834 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.5 t -89.59 -1.07 57.92 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -174.014 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.566 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.2 p -56.13 -41.32 90.43 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.007 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.566 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 78.7 Cg_exo -55.0 -21.91 28.73 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 122.239 1.959 . . . . 0.0 113.468 174.033 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tt -90.5 -70.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.409 . . . . 0.0 109.977 -178.754 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.002 -173.534 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.69 0.281 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -67.32 -36.93 82.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.731 -178.576 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.67 99.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.447 177.107 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -68.51 -26.58 65.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.288 0.566 . . . . 0.0 110.114 -179.216 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.435 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 85.1 t80 -73.82 -43.5 58.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.513 175.675 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.44 -47.48 85.91 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.507 -179.335 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -70.08 -21.92 63.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.807 -178.885 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.5 tt0 -77.83 -58.58 3.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.156 0.503 . . . . 0.0 110.014 176.204 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.452 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 14.6 mm100 -70.52 -18.35 62.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.285 -171.745 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.405 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.0 p -60.82 -54.42 45.37 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.498 -177.708 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -75.45 -29.07 59.55 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.26 178.344 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 11' ' ' GLU . 69.8 t -66.65 -34.86 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.318 . . . . 0.0 110.403 178.687 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.489 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 25.1 t-20 -75.02 -74.99 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.007 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 40.0 mttt 174.18 84.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.843 0.857 . . . . 0.0 110.1 170.45 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -149.87 144.15 17.4 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 118.543 0.611 . . . . 0.0 109.677 174.707 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.5 Cg_exo -66.66 154.39 74.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.703 2.269 . . . . 0.0 111.31 170.508 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -54.97 -42.8 72.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 118.165 0.439 . . . . 0.0 111.404 -176.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.4 p-10 -57.41 -44.4 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.965 179.547 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.53 -36.3 83.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.756 0.312 . . . . 0.0 110.583 176.255 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.44 -43.08 93.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -64.68 -37.79 88.79 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 175.464 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 27.0 mt-30 -63.88 -41.61 97.71 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.049 0.452 . . . . 0.0 110.281 -176.116 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 49.8 ttp -83.14 -43.53 16.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.943 -174.743 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.9 m -84.5 -16.07 43.72 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -173.49 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.637 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.9 p -61.49 -46.97 94.41 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -177.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 59.0 Cg_exo -57.27 -18.58 30.92 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 122.065 1.843 . . . . 0.0 113.385 178.645 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -80.21 -60.48 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.619 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.412 -175.435 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 . . . . . 0 CA--C 1.521 -0.137 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -65.32 -34.16 77.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.021 0.439 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.29 68.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.383 177.131 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 26.7 tptp -64.99 -36.36 84.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.088 -179.463 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -63.18 -41.22 99.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.27 176.602 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.92 -49.53 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.605 -178.803 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -67.98 -28.29 67.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.661 0.267 . . . . 0.0 111.368 -179.67 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -74.96 -56.41 4.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.898 0.38 . . . . 0.0 110.48 178.445 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.444 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -72.62 -19.0 61.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -173.086 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 19.5 p -57.76 -54.3 48.41 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.466 -176.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.419 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.3 p-10 -75.68 -29.23 58.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 178.131 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 11' ' ' GLU . 72.0 t -64.06 -41.42 92.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.637 0.256 . . . . 0.0 110.47 178.757 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 84.4 m-20 -71.06 -74.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.172 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 64.9 tttp 173.11 85.95 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.197 0.599 . . . . 0.0 110.189 167.065 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -147.5 147.1 26.88 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-N 118.711 0.687 . . . . 0.0 109.502 173.456 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.01 153.88 73.46 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.725 2.283 . . . . 0.0 111.258 170.447 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -58.01 -38.87 76.96 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.701 0.228 . . . . 0.0 111.262 -178.313 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.62 -34.57 74.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.352 177.673 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -70.27 -37.89 74.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.108 175.799 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.9 m -56.79 -43.87 81.33 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.868 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' SER . 36.1 t80 -64.93 -34.48 78.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -72.48 -34.56 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.919 0.39 . . . . 0.0 110.962 -176.334 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.4 ttp -91.09 -50.18 5.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.067 -178.681 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.1 m -82.26 -34.24 28.84 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -169.685 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.468 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 51.0 m -63.17 -48.58 83.23 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -176.299 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.468 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 84.5 Cg_exo -52.94 -40.78 74.86 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.95 1.767 . . . . 0.0 112.582 172.564 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.98 -59.5 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.61 0.719 . . . . 0.0 109.093 175.207 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 . . . . . 0 C--N 1.32 -0.7 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.626 -173.052 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 120.818 0.342 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.24 -37.5 80.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.444 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.12 97.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 177.218 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -66.72 -34.83 78.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.827 0.346 . . . . 0.0 110.211 -178.541 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -64.43 -40.99 96.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.113 176.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.9 t -61.78 -48.2 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.488 179.887 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.654 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 66.7 m-85 -71.14 -27.8 63.82 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.769 -179.026 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.7 OUTLIER -70.84 -57.07 4.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.124 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.522 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -77.68 -19.32 55.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -169.866 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.495 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.4 p -60.69 -58.51 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.665 -176.919 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.691 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -69.59 -26.87 64.67 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.207 -0.197 . . . . 0.0 111.283 179.238 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.691 ' N ' HD22 ' A' ' 14' ' ' ASN . 57.0 t -63.44 -40.2 88.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 177.561 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.476 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 12.3 m120 -69.53 -73.72 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 60.6 tttm 175.44 85.17 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 O-C-N 123.733 0.646 . . . . 0.0 110.136 169.275 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -150.07 140.01 13.65 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 118.468 0.577 . . . . 0.0 109.948 175.073 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.99 154.58 72.37 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.989 2.459 . . . . 0.0 111.697 170.586 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -53.24 -44.19 67.92 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.975 0.352 . . . . 0.0 111.675 -174.693 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -61.09 -35.87 78.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -178.162 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.65 -38.77 73.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.869 0.366 . . . . 0.0 110.283 174.1 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.654 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.0 t -60.51 -46.03 91.65 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.336 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -58.53 -37.04 74.82 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.152 176.421 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -63.99 -41.4 97.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.805 0.335 . . . . 0.0 110.762 -175.487 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.497 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 32.6 ttp -83.02 -43.21 16.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.653 -177.82 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.7 m -81.13 -16.89 51.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.218 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.652 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.4 p -57.97 -49.08 95.64 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.788 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.652 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 80.7 Cg_exo -53.73 -28.76 48.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 122.127 1.885 . . . . 0.0 112.988 177.803 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tt -80.3 -57.42 3.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.507 179.371 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.977 -173.14 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.624 0.249 . . . . 0.0 111.463 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -65.38 -34.54 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.948 0.404 . . . . 0.0 110.502 -177.344 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.03 -41.28 64.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.432 176.719 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.68 -36.8 84.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.092 179.347 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -65.88 -41.87 91.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.593 178.02 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -61.25 -45.13 95.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.376 -178.306 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.403 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.1 m-85 -78.02 -25.18 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.273 -177.757 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 15' ' ' VAL . 42.2 tt0 -75.48 -50.86 14.46 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.083 179.667 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.491 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.93 -20.95 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -170.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 p -55.92 -57.07 13.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.646 0.26 . . . . 0.0 111.234 -175.615 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -70.12 -28.73 65.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.191 178.917 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' GLU . 79.3 t -64.48 -39.17 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.526 179.246 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 11.1 m120 -69.74 -75.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.576 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 177.45 84.23 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.495 169.575 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -149.54 141.12 14.73 Favored Pre-proline 0 C--O 1.235 0.317 0 O-C-N 121.438 -0.789 . . . . 0.0 109.688 175.431 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.98 154.39 73.57 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.765 2.31 . . . . 0.0 111.213 169.239 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -56.17 -43.95 78.85 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 118.37 0.532 . . . . 0.0 111.653 -175.513 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -60.2 -34.43 73.62 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.754 0.311 . . . . 0.0 110.78 -179.657 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -70.28 -38.17 74.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.385 174.837 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 49.3 t -60.72 -45.81 92.81 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 177.132 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -61.02 -37.49 82.75 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.067 176.412 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -64.02 -35.24 80.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 -175.18 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.464 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 24.3 ttp -85.75 -45.35 11.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.785 -179.119 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.9 m -85.03 -6.89 59.31 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -173.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.595 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.1 p -60.65 -47.76 95.14 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.192 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.595 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 85.7 Cg_exo -53.48 -28.5 45.03 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.866 1.711 . . . . 0.0 112.257 174.853 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -81.14 -66.55 0.87 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.614 -178.851 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.001 -174.578 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 120.736 0.303 . . . . 0.0 111.328 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -67.71 -32.99 74.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.893 -179.244 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.17 96.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.05 174.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.16 -37.05 85.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.316 179.906 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.425 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 81.3 t80 -65.21 -42.57 93.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 176.406 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.2 t -61.78 -51.32 68.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 -178.426 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.547 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 63.4 m-85 -66.72 -25.06 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.438 -178.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -75.92 -50.42 15.04 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.959 178.049 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 28.4 mm-40 -80.85 -23.41 39.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.344 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 29.8 p -55.49 -59.61 4.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.379 0.133 . . . . 0.0 111.178 -174.772 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.455 HD22 ' H ' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -69.95 -28.14 65.32 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.448 179.013 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.5 -45.08 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.708 0.29 . . . . 0.0 110.477 177.615 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 85.3 m-20 -67.03 -73.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.837 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.5 tttt 175.76 85.44 0.0 OUTLIER 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.407 0.442 . . . . 0.0 110.457 168.3 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -148.93 141.16 14.93 Favored Pre-proline 0 C--O 1.235 0.305 0 O-C-N 121.843 -0.536 . . . . 0.0 109.571 173.588 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.34 154.85 72.64 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.808 2.338 . . . . 0.0 111.414 169.569 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -52.0 -43.96 63.9 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.007 0.367 . . . . 0.0 111.712 -176.146 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.69 -39.55 88.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.935 -179.216 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.02 -38.7 89.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.195 174.757 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.547 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 33.7 t -60.3 -44.29 95.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.745 178.128 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -60.67 -37.51 81.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 177.283 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -70.94 -28.79 64.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.725 0.298 . . . . 0.0 111.208 -174.331 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 44.4 ttp -90.46 -44.13 9.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.521 179.233 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.4 m -82.84 -25.64 32.44 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -173.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.501 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 22.3 t -61.51 -49.7 85.97 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.025 -0.512 . . . . 0.0 112.087 -178.566 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 75.1 Cg_exo -54.58 -24.29 35.96 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.138 1.892 . . . . 0.0 113.059 175.93 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -77.63 -58.28 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.701 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.175 -174.663 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 . . . . . 0 C--O 1.234 0.238 0 CA-C-O 120.719 0.295 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -69.91 -39.09 76.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 -179.01 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.35 90.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.262 176.5 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.3 -31.12 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.81 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -66.95 -42.47 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.26 176.55 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.2 t -60.05 -46.17 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.933 178.391 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.494 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 54.6 m-85 -69.08 -34.34 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.437 179.472 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.7 tp10 -60.91 -52.22 65.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.069 0.462 . . . . 0.0 110.357 177.8 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.501 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -61.34 -25.13 66.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -178.324 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.465 ' CA ' HG13 ' A' ' 18' ' ' VAL . 53.4 m -61.59 -51.23 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.36 177.361 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -75.27 -26.93 59.19 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.778 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 11' ' ' GLU . 69.0 t -65.06 -45.49 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.871 175.739 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.406 ' C ' ' HG3' ' A' ' 17' ' ' LYS . 12.1 m120 -86.56 -77.9 0.3 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.261 -174.866 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HG3' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER 177.45 81.74 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.946 0.403 . . . . 0.0 111.482 176.018 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.465 HG13 ' CA ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -163.66 124.25 1.43 Allowed Pre-proline 0 C--N 1.322 -0.598 0 O-C-N 121.364 -0.835 . . . . 0.0 111.009 175.663 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.28 153.19 54.95 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.499 2.8 . . . . 0.0 112.787 177.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -54.79 -44.18 73.52 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 111.776 0.288 . . . . 0.0 111.776 -176.781 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.79 -44.1 97.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.728 0.299 . . . . 0.0 111.665 -177.596 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -74.4 -27.14 60.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.763 0.316 . . . . 0.0 110.487 177.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 27.6 t -68.28 -38.79 82.04 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.519 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -55.2 -34.35 63.83 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.923 175.661 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -65.2 -34.89 79.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.946 0.403 . . . . 0.0 110.694 -178.086 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.518 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 35.3 ttp -90.51 -47.53 7.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -177.323 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.3 m -83.57 -14.4 52.21 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.427 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.566 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.2 p -58.15 -44.43 99.25 Favored Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -178.14 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.566 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 92.8 Cg_exo -48.75 -47.63 20.37 Favored 'Trans proline' 0 C--N 1.362 1.248 0 C-N-CA 122.54 2.16 . . . . 0.0 114.088 179.834 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -71.23 -29.71 65.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 0.0 110.29 -178.088 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.494 -177.414 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 . . . . . 0 C--O 1.232 0.153 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.23 -35.35 80.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.73 0.3 . . . . 0.0 110.708 -179.011 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.49 98.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.987 175.434 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -64.29 -42.8 96.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.06 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -61.89 -40.82 96.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.489 177.611 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.86 -50.48 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.431 -179.168 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -70.48 -29.89 66.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.546 -179.381 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.4 tt0 -67.47 -52.4 39.71 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.358 177.756 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.536 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.26 -26.91 38.75 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -171.995 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.468 ' O ' HG13 ' A' ' 18' ' ' VAL . 23.9 p -56.47 -50.47 71.65 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.006 0.431 . . . . 0.0 110.435 -177.642 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.41 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.6 t-20 -75.91 -27.58 57.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -178.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 11' ' ' GLU . 54.9 t -69.06 -40.4 80.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.52 0.2 . . . . 0.0 110.761 178.851 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.0 m120 -70.41 -75.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.686 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 84.1 tttt 175.25 83.71 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.839 170.798 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.48 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -152.7 143.14 15.42 Favored Pre-proline 0 C--O 1.237 0.425 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 173.777 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.7 Cg_exo -66.58 152.91 79.74 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.891 2.394 . . . . 0.0 111.944 172.824 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' CYS . 69.7 t80 -55.04 -40.83 70.68 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -177.573 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.62 -38.26 84.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.847 0.355 . . . . 0.0 110.677 179.319 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.641 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 35.5 tt0 -74.0 -28.47 61.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.366 176.098 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 20' ' ' PHE . 73.7 m -59.19 -48.67 80.76 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 169.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -57.49 -43.04 83.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.823 -179.237 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 2.4 pt20 -63.82 -30.56 71.63 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.64 0.257 . . . . 0.0 110.94 -174.354 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.8 ttp -90.19 -45.86 8.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.485 -179.665 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -79.93 -18.55 50.21 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.91 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.706 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.6 p -64.26 -49.99 69.96 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-O 118.55 -0.738 . . . . 0.0 112.859 -177.854 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.706 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.4 Cg_exo -62.0 -15.04 40.88 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 122.141 1.894 . . . . 0.0 112.588 176.791 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -81.29 -59.67 2.55 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.462 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.77 -175.771 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -67.25 -31.53 71.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 178.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.95 94.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.044 177.443 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.29 -36.23 83.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.191 0.519 . . . . 0.0 109.713 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -67.42 -41.01 85.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.454 176.221 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.26 -50.02 71.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.543 -179.925 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -65.4 -21.27 66.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.826 0.346 . . . . 0.0 111.465 -179.575 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.2 tp10 -78.66 -61.23 2.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.002 0.429 . . . . 0.0 110.115 177.489 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.518 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -69.43 -23.68 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.36 -172.947 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 29.2 p -55.76 -54.15 47.93 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.532 -177.745 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.405 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 3.0 t-20 -74.33 -28.95 61.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.909 179.35 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' GLU . 76.0 t -66.65 -38.51 81.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.582 0.23 . . . . 0.0 110.469 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -69.21 -75.07 0.12 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 176.648 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.3 pttt 175.45 84.15 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.872 0.732 . . . . 0.0 110.606 166.074 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.3 m -148.75 149.61 31.09 Favored Pre-proline 0 C--O 1.233 0.198 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 172.505 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.429 ' O ' HG23 ' A' ' 18' ' ' VAL . 16.8 Cg_exo -69.23 154.29 70.05 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.892 2.395 . . . . 0.0 111.237 169.101 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -60.14 -37.0 78.77 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.442 0.163 . . . . 0.0 111.294 -178.175 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -59.49 -33.15 70.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.426 177.137 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -73.58 -38.35 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.232 174.861 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.9 m -55.76 -42.01 74.83 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.143 0.497 . . . . 0.0 109.699 173.726 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.29 -23.85 67.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.979 -179.54 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -85.06 -29.96 24.49 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.128 -178.237 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.3 ttp -91.3 -48.76 6.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.808 0.337 . . . . 0.0 111.828 179.258 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 32.6 m -77.06 -36.06 56.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -170.878 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.503 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 48.9 m -60.9 -50.06 86.53 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -177.595 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 74.1 Cg_exo -54.37 -23.35 30.4 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.431 2.088 . . . . 0.0 113.415 176.187 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 10.7 tp -70.31 -53.92 14.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.266 0.555 . . . . 0.0 110.626 176.627 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.317 -0.805 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.614 -174.89 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 C--O 1.233 0.193 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -66.6 -26.54 67.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.107 0.48 . . . . 0.0 110.197 179.356 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.5 80.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.302 175.119 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -63.18 -39.8 95.7 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.254 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.04 -43.43 95.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.219 177.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.9 -52.58 63.58 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.966 -178.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.545 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 83.9 m-85 -74.66 -38.57 62.42 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.465 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -64.29 -36.02 82.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 -175.785 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -80.43 -17.36 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.364 -178.302 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 85.5 m -51.86 -54.59 27.38 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.862 0.363 . . . . 0.0 111.242 -179.53 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -75.64 -26.66 57.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.908 0.385 . . . . 0.0 110.364 -177.291 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.19 -43.94 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.303 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.6 m120 -78.6 -77.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.183 -178.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.1 tttt 173.18 84.32 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.198 0.599 . . . . 0.0 109.646 169.668 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 p -163.49 125.23 1.55 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 121.78 -0.575 . . . . 0.0 110.89 175.716 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.94 143.79 90.93 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.953 2.435 . . . . 0.0 111.622 175.723 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -56.3 -37.61 70.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.527 -175.541 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -65.48 -47.45 76.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.662 0.268 . . . . 0.0 111.204 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 38.0 tt0 -69.49 -33.15 72.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.871 0.367 . . . . 0.0 110.529 177.534 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.47 -29.52 64.93 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.162 179.648 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -54.82 -35.0 63.46 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.175 174.469 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -67.25 -25.27 66.0 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.704 0.288 . . . . 0.0 110.431 -176.732 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.0 ttp -90.68 -47.4 7.68 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.5 -179.851 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.6 m -80.12 -10.92 59.79 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -175.811 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.674 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.3 p -59.92 -51.32 81.54 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -177.66 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.674 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.6 Cg_exo -61.17 -12.76 24.63 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.998 1.799 . . . . 0.0 112.66 178.194 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -90.28 -61.44 1.68 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.48 179.213 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.223 -173.05 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.505 0.193 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.03 -31.75 73.05 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.132 0.492 . . . . 0.0 110.451 -178.954 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.99 -41.45 67.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.274 175.834 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -62.84 -35.85 81.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.124 178.616 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.641 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 74.3 t80 -65.76 -39.98 91.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.47 176.54 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.4 t -62.62 -46.55 87.76 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.739 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 42.1 m-85 -69.32 -27.42 65.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.036 179.743 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 9.0 pt-20 -77.41 -43.64 31.93 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.581 -179.017 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.559 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -81.29 -26.41 35.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -176.626 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -56.22 -53.05 61.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.525 0.203 . . . . 0.0 111.407 -173.683 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -71.71 -29.13 64.22 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.397 178.785 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 11' ' ' GLU . 73.1 t -66.71 -39.69 84.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.44 178.817 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 15.1 m120 -67.83 -76.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.03 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.575 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 175.92 84.09 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 O-C-N 123.715 0.635 . . . . 0.0 110.294 169.728 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -148.79 140.58 14.48 Favored Pre-proline 0 C--O 1.235 0.317 0 O-C-N 121.085 -1.009 . . . . 0.0 110.023 175.352 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 21.2 Cg_exo -66.64 154.86 72.94 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.869 2.38 . . . . 0.0 110.974 169.416 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -53.14 -43.39 66.92 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.197 0.453 . . . . 0.0 111.569 -175.717 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.427 ' OD2' ' HB2' ' A' ' 19' ' ' PRO . 5.6 p-10 -57.91 -40.0 79.3 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.356 -179.258 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -66.61 -39.94 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.438 177.272 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 28.9 t -62.93 -40.4 97.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.205 0.526 . . . . 0.0 109.684 178.154 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -64.03 -31.54 72.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.76 179.084 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -78.31 -27.34 47.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.918 0.39 . . . . 0.0 111.169 -175.481 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 40.4 ttp -90.59 -49.55 6.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.747 0.308 . . . . 0.0 111.608 178.78 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.4 m -86.17 -25.3 25.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -170.353 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.517 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 31.2 t -67.9 -51.21 29.59 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.504 -179.693 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 62.8 Cg_exo -57.65 -16.86 26.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 121.972 1.782 . . . . 0.0 112.863 175.753 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.34 -56.43 6.73 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.756 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.778 -176.762 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 CA--C 1.52 -0.183 0 CA-C-O 120.814 0.34 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -67.0 -33.34 75.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.092 0.473 . . . . 0.0 110.236 179.465 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.14 95.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.766 176.521 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -65.55 -34.03 77.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.962 179.659 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -67.09 -43.06 83.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.171 175.846 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -59.76 -51.79 68.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 -179.1 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.536 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 53.5 m-85 -70.0 -24.65 63.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.865 -178.036 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 15' ' ' VAL . 34.9 tt0 -78.39 -49.51 13.4 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.004 179.817 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.486 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -81.46 -23.14 37.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -172.763 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.434 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.7 p -56.05 -53.03 61.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.645 0.26 . . . . 0.0 111.154 -175.668 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -72.62 -28.82 63.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.553 0.216 . . . . 0.0 111.107 178.898 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 11' ' ' GLU . 72.3 t -65.8 -41.57 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.452 178.325 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -65.71 -75.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.485 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tttp 173.67 85.53 0.0 OUTLIER 'General case' 0 C--O 1.23 0.041 0 O-C-N 123.827 0.705 . . . . 0.0 110.082 165.912 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER -145.75 143.28 19.33 Favored Pre-proline 0 C--O 1.236 0.367 0 CA-C-N 118.424 0.556 . . . . 0.0 109.605 174.118 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.38 153.12 79.67 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.837 2.358 . . . . 0.0 111.468 171.119 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -55.7 -44.01 76.99 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.093 0.406 . . . . 0.0 111.188 -176.975 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -59.44 -35.64 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.902 -179.542 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -71.78 -39.71 69.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.363 175.367 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.536 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 34.7 t -59.52 -42.19 91.7 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.733 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -58.68 -36.52 74.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.628 177.802 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -74.04 -31.61 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -173.562 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 ttp -82.58 -45.39 14.66 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.179 179.57 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 24.0 m -81.65 -17.78 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -172.873 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.679 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.4 p -61.09 -50.39 84.59 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.31 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.679 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -60.22 -16.68 41.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.133 1.888 . . . . 0.0 112.915 177.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 tp -85.96 -55.63 3.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.665 178.773 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.628 -175.716 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.681 0.277 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -66.13 -45.83 79.67 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.383 179.722 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.77 89.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.325 177.92 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -64.12 -40.59 96.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.794 179.412 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -67.81 -40.68 83.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 110.374 179.432 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.8 t -58.77 -56.2 25.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.541 -178.381 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -70.57 -24.53 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 111.297 -177.725 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 15' ' ' VAL . 13.6 tp10 -65.66 -62.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.114 0.483 . . . . 0.0 110.074 176.642 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.501 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -74.68 -24.99 58.87 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -170.972 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -56.98 -58.02 9.99 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.107 -174.123 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.49 HD22 ' H ' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -71.89 -28.22 63.36 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.455 178.829 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 11' ' ' GLU . 79.4 t -65.65 -37.82 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.394 0.14 . . . . 0.0 110.663 177.963 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -64.66 -74.27 0.11 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.332 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 19.4 pttp 175.46 84.49 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.913 0.758 . . . . 0.0 110.133 165.393 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.3 m -148.27 145.16 19.83 Favored Pre-proline 0 C--O 1.235 0.339 0 O-C-N 121.794 -0.566 . . . . 0.0 109.626 176.07 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.7 Cg_exo -66.73 154.28 75.02 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.754 2.302 . . . . 0.0 110.946 168.668 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -57.08 -40.05 76.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.012 0.369 . . . . 0.0 111.171 -177.076 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.4 p30 -57.41 -45.68 84.33 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.525 178.291 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -60.31 -40.36 90.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.977 0.418 . . . . 0.0 110.512 175.992 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.0 t -62.26 -45.7 92.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.781 178.963 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -63.86 -35.29 80.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.951 178.818 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 88.8 mt-30 -64.38 -40.27 95.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.806 0.336 . . . . 0.0 110.647 -175.588 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 59.9 mtm -88.21 -33.67 18.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.501 -179.704 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 t -87.29 -13.22 44.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -173.132 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.579 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 4.0 p -58.4 -47.83 98.08 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.992 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.579 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 71.6 Cg_exo -54.89 -18.25 16.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.923 1.749 . . . . 0.0 113.223 176.176 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -90.49 -65.02 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.42 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.995 -172.531 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.948 0.404 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.481 HE21 ' HA ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -67.68 -31.23 71.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.81 -179.304 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.51 96.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 175.551 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -64.6 -39.55 93.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.989 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -65.47 -40.37 93.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.315 177.004 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.8 t -61.2 -51.78 67.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.309 -179.051 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.521 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 52.4 m-85 -69.68 -24.43 63.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.887 -178.196 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 11.9 tp10 -76.68 -59.14 2.9 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.946 0.403 . . . . 0.0 110.337 -179.553 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.6 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -76.52 -18.69 58.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -171.58 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.466 ' O ' HG13 ' A' ' 18' ' ' VAL . 32.1 p -57.82 -57.99 10.34 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.664 0.269 . . . . 0.0 110.611 -177.353 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.611 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -76.37 -27.07 56.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.476 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.611 ' N ' HD22 ' A' ' 14' ' ' ASN . 79.5 t -66.12 -40.07 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.864 0.364 . . . . 0.0 110.054 177.308 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.475 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 50.2 t-20 -71.5 -73.48 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.708 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 66.9 tttp 175.43 86.04 0.0 OUTLIER 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.662 0.601 . . . . 0.0 110.528 171.052 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.1 m -149.81 144.6 17.88 Favored Pre-proline 0 C--O 1.235 0.304 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 172.266 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 18' ' ' VAL . 21.8 Cg_exo -64.71 152.26 82.65 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.344 2.029 . . . . 0.0 111.175 170.65 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -54.55 -41.65 70.02 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 117.678 0.217 . . . . 0.0 110.864 -178.632 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -61.18 -38.51 86.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.798 -179.826 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -66.89 -39.92 87.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.89 0.376 . . . . 0.0 110.217 176.752 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.521 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 17.2 t -61.87 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.072 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -66.58 -28.32 68.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.483 177.133 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.615 HE21 ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.27 -36.48 66.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 -176.976 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.2 mtm -92.23 -50.3 5.74 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 179.864 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.9 m -77.64 -26.58 50.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -170.893 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.483 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 10.3 t -68.19 -48.11 37.77 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.78 -178.113 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 58.5 Cg_exo -58.89 -11.07 11.14 Favored 'Trans proline' 0 C--N 1.362 1.244 0 C-N-CA 122.374 2.049 . . . . 0.0 113.06 172.972 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -87.79 -56.53 3.3 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.08 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.595 -173.716 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 120.421 0.153 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -66.63 -34.45 77.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.264 0.554 . . . . 0.0 110.134 -179.362 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.56 -43.03 64.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.284 176.857 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.5 -37.4 87.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.128 179.29 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -64.24 -39.94 95.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.13 177.281 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.3 t -64.07 -51.48 63.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.228 -179.583 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.507 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 57.2 m-85 -67.9 -23.33 65.09 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.708 0.289 . . . . 0.0 111.571 -179.149 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 15' ' ' VAL . 9.7 tp10 -75.94 -62.53 1.57 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.197 0.522 . . . . 0.0 110.222 178.14 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.514 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -73.8 -19.14 60.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.514 -170.626 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 30.4 p -56.28 -59.24 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.742 -177.148 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.696 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -74.72 -27.1 60.23 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.416 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.696 ' N ' HD22 ' A' ' 14' ' ' ASN . 75.2 t -65.56 -40.46 88.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.521 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 14.2 m120 -67.1 -74.19 0.12 Allowed 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 176.673 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 15.2 mttp 174.63 86.53 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 O-C-N 124.002 0.814 . . . . 0.0 110.59 166.091 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -144.87 144.81 25.41 Favored Pre-proline 0 C--O 1.234 0.258 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 172.234 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.24 153.61 73.07 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.464 2.109 . . . . 0.0 110.978 170.605 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -57.29 -41.8 80.48 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.876 -177.603 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.6 p30 -58.96 -38.49 79.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.208 178.883 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -66.23 -40.47 90.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.818 0.342 . . . . 0.0 110.572 175.787 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 18.2 t -61.08 -40.62 94.37 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.001 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -66.24 -26.06 67.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.005 177.392 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 11.1 mm100 -80.54 -29.69 37.15 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.559 -0.713 . . . . 0.0 110.816 -178.251 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.5 ttp -91.61 -53.04 4.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.347 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 33.8 m -82.95 -28.18 30.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.022 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.501 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 19.3 m -67.64 -49.13 41.26 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -177.615 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 78.4 Cg_exo -56.67 -23.55 49.81 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 121.749 1.633 . . . . 0.0 112.409 173.416 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 1.8 tt -72.18 -59.69 2.61 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 176.184 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.851 -174.738 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.588 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.451 0.167 . . . . 0.0 111.41 . . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.96 -32.55 73.87 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.641 -177.345 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.88 93.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.998 174.357 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -64.64 -34.77 79.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.242 178.197 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -62.95 -43.47 98.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.2 177.557 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.1 t -60.54 -46.55 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.048 178.854 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.52 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 47.3 m-85 -73.34 -28.45 62.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.284 -178.852 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.5 tt0 -72.88 -49.67 28.45 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.486 179.434 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.55 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -79.91 -19.24 48.58 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -171.416 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 24.6 p -62.69 -55.96 22.02 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.615 -177.066 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.668 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -73.06 -26.04 61.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.639 179.506 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.668 ' N ' HD22 ' A' ' 14' ' ' ASN . 42.9 t -61.82 -44.78 99.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 176.705 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -70.0 -76.92 0.09 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.704 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 pttm 174.64 86.61 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.241 0.616 . . . . 0.0 110.472 168.884 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.1 m -140.87 143.47 31.91 Favored Pre-proline 0 C--N 1.327 -0.375 0 O-C-N 121.519 -0.738 . . . . 0.0 109.463 173.679 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.55 154.19 74.86 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.527 2.152 . . . . 0.0 111.39 172.031 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -53.19 -41.22 65.04 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.512 0.196 . . . . 0.0 111.249 -178.668 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -57.07 -48.9 77.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.204 179.736 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -61.82 -41.34 97.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.732 0.301 . . . . 0.0 110.442 177.673 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.7 t -62.24 -42.98 99.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.143 0.497 . . . . 0.0 109.859 179.457 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -64.83 -37.86 89.03 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.273 178.377 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -74.34 -31.58 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.659 0.266 . . . . 0.0 111.447 -174.086 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 ttp -81.1 -45.5 16.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.205 179.445 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 16.8 m -86.36 -11.73 51.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -173.898 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.661 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.0 p -60.14 -50.43 86.16 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.523 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.661 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 67.4 Cg_exo -56.07 -25.89 56.76 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 121.897 1.732 . . . . 0.0 112.492 178.254 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 tt -78.07 -58.55 3.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.267 179.187 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.256 -175.159 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 . . . . . 0 CA--C 1.516 -0.347 0 N-CA-C 111.265 0.098 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -63.96 -41.07 97.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.85 0.357 . . . . 0.0 110.626 179.401 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.12 -45.74 83.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.513 177.988 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -67.34 -38.86 85.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.019 -179.056 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.01 -42.11 99.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.25 178.489 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.3 t -60.28 -56.31 23.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.808 178.241 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -68.64 -18.9 64.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.711 -175.46 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -79.54 -56.06 4.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.65 173.936 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.495 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -81.62 -18.65 43.95 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -171.384 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -53.88 -53.69 49.13 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.591 0.234 . . . . 0.0 111.147 -175.955 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -72.26 -28.94 63.46 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.158 178.479 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.2 t -66.55 -37.35 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.75 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.5 m120 -70.35 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.152 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 22.8 ttpp 175.77 83.7 0.0 OUTLIER 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.646 0.591 . . . . 0.0 110.355 166.943 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.609 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -154.94 142.45 13.92 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 174.085 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.499 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.0 Cg_exo -66.61 153.62 77.33 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.715 2.277 . . . . 0.0 111.119 168.744 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.529 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 49.8 t80 -56.99 -38.2 72.72 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -177.092 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -58.94 -37.39 76.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.853 0.359 . . . . 0.0 110.412 177.251 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.609 ' OE1' ' HB ' ' A' ' 18' ' ' VAL . 64.8 tt0 -72.75 -33.93 66.69 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.319 176.306 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' A' ' 20' ' ' PHE . 56.5 m -55.72 -45.2 77.99 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.756 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -64.77 -40.79 95.85 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.999 179.423 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -64.3 -35.5 81.05 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.873 -174.111 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.2 ttp -83.76 -42.94 15.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.918 -177.919 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 97.0 m -103.97 6.89 36.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -172.852 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.656 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.1 p -56.67 -47.42 99.03 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.854 171.979 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.656 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 47.8 Cg_exo -62.44 -12.03 25.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.16 1.907 . . . . 0.0 112.848 174.789 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -89.76 -59.87 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.235 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.018 -174.841 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.675 0.274 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.97 -41.46 97.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.205 0.526 . . . . 0.0 110.273 178.175 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.62 87.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.231 176.891 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -63.07 -35.48 80.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.458 179.168 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -62.96 -43.32 99.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.401 176.124 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.27 -49.21 74.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 -179.039 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.59 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 55.7 m-85 -67.46 -27.71 67.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.55 179.79 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.7 tt0 -71.02 -55.27 8.65 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.124 176.941 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.545 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -70.64 -27.59 64.16 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -171.562 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.9 p -63.49 -50.37 69.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.391 . . . . 0.0 110.041 -179.229 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.22 -29.57 62.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.893 177.964 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 11' ' ' GLU . 44.9 t -63.36 -40.91 90.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.33 176.982 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.418 ' N ' HD22 ' A' ' 16' ' ' ASN . 0.9 OUTLIER -74.6 -77.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.818 179.002 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 173.95 86.23 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.626 0.579 . . . . 0.0 111.043 170.614 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -145.21 144.58 23.88 Favored Pre-proline 0 CA--C 1.534 0.356 0 O-C-N 121.654 -0.654 . . . . 0.0 109.745 174.072 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.99 154.21 75.38 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.852 2.368 . . . . 0.0 111.821 172.315 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -55.41 -44.67 76.41 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.923 0.329 . . . . 0.0 111.584 -175.842 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -57.75 -41.46 81.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.642 0.258 . . . . 0.0 111.148 -178.386 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.02 -38.28 79.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 176.505 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 21.9 t -61.85 -42.58 99.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.073 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -59.25 -39.21 82.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.042 177.003 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -62.53 -40.65 97.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.925 0.393 . . . . 0.0 110.749 -177.117 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.444 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 39.2 ttp -82.13 -44.17 16.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.681 -176.76 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.0 m -80.9 -21.22 40.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -173.656 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.668 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.5 p -60.23 -47.87 95.59 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.678 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.668 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 66.0 Cg_exo -57.11 -20.35 37.41 Favored 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 122.392 2.061 . . . . 0.0 113.182 178.157 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.65 -59.84 2.59 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.233 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.245 -174.415 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 120.498 0.19 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -64.92 -34.75 79.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 110.395 -177.598 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.24 84.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.249 176.844 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -62.39 -38.56 90.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.701 179.214 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.55 -38.17 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.707 177.583 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -57.67 -47.86 81.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 178.082 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.496 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 53.0 m-85 -68.9 -20.17 64.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.461 179.775 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.7 tt0 -81.68 -51.43 8.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.766 176.496 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.482 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -80.11 -17.78 51.65 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -171.386 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 p -57.48 -55.85 29.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.618 0.247 . . . . 0.0 110.976 -175.76 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.722 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -71.54 -27.46 63.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.493 0.187 . . . . 0.0 111.179 177.152 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.722 ' N ' HD22 ' A' ' 14' ' ' ASN . 42.7 t -62.57 -42.65 96.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.39 177.975 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.9 m120 -69.37 -73.77 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.807 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.4 tttt 175.1 85.43 0.0 OUTLIER 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.669 0.605 . . . . 0.0 110.265 168.609 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.1 m -149.67 146.77 21.25 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-N 118.167 0.439 . . . . 0.0 109.879 174.779 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.51 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 13.5 Cg_exo -71.31 154.65 61.24 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.75 2.3 . . . . 0.0 111.135 168.254 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -52.52 -41.46 63.49 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.196 0.453 . . . . 0.0 111.857 -174.74 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.51 ' OD1' ' HB2' ' A' ' 19' ' ' PRO . 8.6 p-10 -58.78 -41.92 87.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.157 -178.673 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -67.34 -36.89 82.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.369 . . . . 0.0 110.09 176.108 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 38.9 t -58.46 -43.79 89.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.771 177.933 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -62.05 -42.88 99.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.558 177.212 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -74.98 -21.89 58.87 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.671 -171.283 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.5 ttp -90.39 -45.76 8.8 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.241 176.691 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -82.82 -26.13 32.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.66 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.517 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 23.2 t -62.62 -51.46 72.24 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-O 119.038 -0.506 . . . . 0.0 112.088 -177.773 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 89.3 Cg_exo -53.58 -32.76 65.51 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 122.083 1.855 . . . . 0.0 112.816 176.277 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.25 -51.02 61.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.775 176.367 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 . . . . . 0 C--N 1.319 -0.754 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.013 -174.129 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.817 0.342 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.19 -41.08 74.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.801 -179.761 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.02 94.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.126 176.677 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.18 -32.22 73.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.124 178.597 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -62.91 -43.81 97.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.389 178.284 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 t -60.06 -52.01 67.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.408 177.991 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.581 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 69.1 m-85 -68.67 -29.11 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.694 -176.254 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 15' ' ' VAL . 35.7 tt0 -69.87 -52.0 28.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.764 0.316 . . . . 0.0 110.416 176.108 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.524 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -81.16 -21.56 39.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -170.629 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -60.74 -50.1 74.85 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.931 -175.286 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -72.27 -29.03 63.51 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.918 178.194 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 11' ' ' GLU . 68.9 t -66.29 -36.32 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.378 179.206 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -73.5 -75.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 175.353 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 177.74 84.35 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.556 0.535 . . . . 0.0 111.017 169.33 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -149.09 141.66 15.33 Favored Pre-proline 0 C--O 1.236 0.372 0 O-C-N 121.333 -0.854 . . . . 0.0 109.721 172.072 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -68.21 154.96 71.09 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.948 2.432 . . . . 0.0 111.302 168.739 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -53.22 -44.51 68.11 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 117.987 0.358 . . . . 0.0 111.3 -177.847 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 3.8 p30 -56.98 -41.32 78.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.954 -179.659 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -66.18 -40.54 90.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.531 177.15 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.581 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 9.0 t -63.07 -40.05 96.53 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.819 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -64.06 -38.57 91.57 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.874 176.402 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 15.9 mm100 -71.32 -22.04 61.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.049 -173.031 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.0 ttp -90.81 -52.56 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.975 179.365 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.7 m -103.21 6.32 38.19 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -170.879 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.62 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 29.9 p -59.28 -44.98 99.13 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 119.627 -0.829 . . . . 0.0 111.592 172.687 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.62 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 75.2 Cg_exo -55.38 -22.62 34.62 Favored 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 121.795 1.664 . . . . 0.0 112.525 175.265 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.3 -61.2 2.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.122 177.722 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.175 -173.21 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -161.9 76.4 2.23 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-O 120.695 0.283 . . . . 0.0 110.674 -175.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -56.31 -25.5 56.95 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.346 2.031 . . . . 0.0 112.179 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -67.21 -42.75 83.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.672 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.539 HE21 ' HA ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -65.9 -36.42 83.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.511 178.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.97 81.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.271 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -63.7 -34.61 78.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.266 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.4 -43.53 94.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.361 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.4 t -64.41 -49.46 71.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.36 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.515 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 63.5 m-85 -67.47 -23.31 65.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.721 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 15' ' ' VAL . 42.6 tt0 -82.3 -54.07 5.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.696 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.531 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -70.17 -23.15 62.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -172.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 p -59.5 -51.78 68.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.745 0.307 . . . . 0.0 110.558 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -79.7 -28.84 40.61 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.146 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 11' ' ' GLU . 78.7 t -61.26 -41.96 91.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.552 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.0 m120 -71.13 -76.87 0.1 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 81.7 tttt 172.45 87.29 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.681 0.613 . . . . 0.0 110.545 166.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -141.73 145.29 36.36 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 118.47 0.577 . . . . 0.0 109.521 172.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.69 152.43 69.28 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 123.04 2.494 . . . . 0.0 111.97 172.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -56.19 -44.37 79.36 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.544 0.211 . . . . 0.0 111.337 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.99 -38.06 87.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.031 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -68.62 -36.29 78.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.117 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 44.8 t -61.69 -47.22 86.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -61.57 -34.73 76.09 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.064 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.85 -38.64 89.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.008 0.432 . . . . 0.0 110.806 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.472 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 40.7 ttp -85.69 -43.33 13.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.783 -177.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.3 m -82.08 -20.12 38.81 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -172.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.645 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.7 p -58.92 -46.45 99.53 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.645 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 71.5 Cg_exo -54.36 -37.34 88.92 Favored 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 121.925 1.75 . . . . 0.0 112.529 177.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -68.96 -57.6 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.281 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.42 -62.12 1.71 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.552 -173.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.691 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 0.8 OUTLIER -151.45 106.03 3.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.922 0.392 . . . . 0.0 111.642 -178.481 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 C--N 1.323 -0.546 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 171.59 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -159.82 68.46 2.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -57.2 -26.33 69.13 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.51 2.14 . . . . 0.0 113.376 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.32 -36.78 85.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.593 0.235 . . . . 0.0 111.415 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -65.27 -42.21 93.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.269 0.557 . . . . 0.0 110.197 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.73 91.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.472 176.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -63.81 -35.29 80.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.151 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.64 -40.72 97.89 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.419 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.07 -47.42 82.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.666 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.7 m-85 -69.48 -24.49 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.5 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 15' ' ' VAL . 10.8 tp10 -69.11 -64.08 0.94 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.14 0.495 . . . . 0.0 110.242 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.544 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -71.14 -23.65 62.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.442 -169.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 28.5 p -61.43 -51.94 66.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 110.203 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.421 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.8 t-20 -72.8 -27.96 62.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 11' ' ' GLU . 60.1 t -66.68 -38.08 80.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.669 0.271 . . . . 0.0 110.737 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -73.86 -76.64 0.13 Allowed 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.855 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.1 pttp 174.91 85.35 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.786 0.679 . . . . 0.0 110.213 172.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -146.1 143.14 18.67 Favored Pre-proline 0 C--O 1.236 0.388 0 O-C-N 121.561 -0.712 . . . . 0.0 109.788 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.91 153.44 75.75 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.806 2.337 . . . . 0.0 111.384 170.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.83 -42.23 79.27 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.2 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.9 p30 -59.98 -40.74 90.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.643 0.259 . . . . 0.0 110.406 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -63.48 -40.6 97.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.965 0.412 . . . . 0.0 110.166 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.666 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 22.2 t -62.53 -44.38 96.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -57.9 -37.86 74.78 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.171 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 98.6 mt-30 -68.39 -36.17 78.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.827 0.346 . . . . 0.0 110.707 -174.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.0 ttp -85.6 -37.11 19.9 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.655 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.8 m -84.65 -20.56 31.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.602 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 17.8 p -61.94 -44.69 90.82 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.602 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 58.2 Cg_exo -57.95 -23.43 59.81 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 121.935 1.757 . . . . 0.0 112.674 174.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.32 -63.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.72 -42.71 85.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.836 -175.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.554 ' HA ' ' HE ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 60.13 83.44 0.14 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.268 0.556 . . . . 0.0 111.506 177.404 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.7 p . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.167 175.426 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.743 0.306 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -152.56 70.61 7.4 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -53.87 -22.31 23.51 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 123.162 2.575 . . . . 0.0 113.796 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 4' ' ' GLN . 15.0 mm-40 -65.48 -28.58 69.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -68.73 -38.8 80.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.211 0.529 . . . . 0.0 109.965 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.3 -43.08 87.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.171 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -63.02 -35.47 80.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.319 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.41 -42.58 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 t -58.36 -50.39 73.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.46 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.487 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 52.8 m-85 -66.63 -35.68 80.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.522 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.6 tp10 -65.4 -50.11 66.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.654 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.434 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 17.2 mm100 -64.01 -21.88 66.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.435 -177.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.568 ' HB3' HG22 ' A' ' 18' ' ' VAL . 61.2 m -57.94 -51.43 69.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.294 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.25 -28.5 38.44 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.985 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.434 ' HB ' ' HA ' ' A' ' 12' ' ' GLN . 55.3 t -57.45 -48.06 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.289 0.368 . . . . 0.0 110.42 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.0 m120 -80.34 -80.56 0.13 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.829 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 64.1 tttp 170.36 87.79 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.44 0.696 . . . . 0.0 110.287 168.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -137.52 144.94 47.07 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 119.372 0.987 . . . . 0.0 110.04 174.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.422 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.3 Cg_exo -63.8 150.32 88.7 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.629 2.219 . . . . 0.0 111.334 172.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -58.76 -41.26 86.14 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -61.6 -37.61 84.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.671 0.272 . . . . 0.0 110.484 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -65.24 -43.13 92.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.291 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.4 t -63.08 -42.93 99.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.2 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -60.8 -32.14 71.49 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.42 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -71.07 -30.88 67.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.0 ttp -90.61 -48.01 7.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.985 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.0 m -82.6 -23.31 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -171.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.506 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 19.6 t -63.19 -49.47 80.06 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.762 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 60.9 Cg_exo -57.64 -14.98 18.84 Favored 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 122.05 1.833 . . . . 0.0 113.159 176.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tt -85.02 -58.43 2.7 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.46 -30.31 69.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.475 -175.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -115.35 153.21 31.41 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.317 -0.836 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 178.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.711 0.291 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.443 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 61.7 m -152.21 58.03 2.42 Favored Pre-proline 0 CA--C 1.538 0.503 0 O-C-N 122.407 -0.183 . . . . 0.0 111.351 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 2' ' ' SER . 39.6 Cg_exo -59.24 -55.29 1.95 Allowed 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.597 2.198 . . . . 0.0 113.26 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.523 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -57.66 -35.47 70.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.788 -177.256 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -76.92 -34.54 57.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.143 0.497 . . . . 0.0 110.275 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.37 90.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.822 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -62.57 -34.2 76.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.799 178.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.424 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 85.6 t80 -67.0 -40.94 87.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.348 175.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.2 t -59.31 -47.51 85.13 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.41 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 59.2 m-85 -71.45 -29.61 65.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.841 -178.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.54 -53.15 17.26 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.637 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.34 -19.49 46.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -169.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.7 p -57.28 -55.44 34.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.601 0.239 . . . . 0.0 111.048 -175.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -69.54 -28.97 66.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.655 0.264 . . . . 0.0 110.919 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.7 t -68.79 -39.26 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.398 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.532 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 14.7 m120 -67.87 -75.98 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 44.8 mttt 174.87 85.03 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.836 0.855 . . . . 0.0 109.993 171.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.424 ' HB ' ' HG2' ' A' ' 22' ' ' GLN . 1.4 m -149.16 142.72 16.26 Favored Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 118.528 0.604 . . . . 0.0 110.062 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -65.38 155.53 68.21 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.085 2.523 . . . . 0.0 111.463 168.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -55.76 -44.17 77.4 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.318 0.508 . . . . 0.0 111.785 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -60.14 -38.06 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.745 0.307 . . . . 0.0 111.068 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.424 ' HG2' ' HB ' ' A' ' 18' ' ' VAL . 5.4 tp-100 -64.61 -40.09 94.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.061 0.457 . . . . 0.0 110.012 173.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 35.9 t -61.41 -46.91 88.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.118 0.485 . . . . 0.0 109.708 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -63.26 -40.84 98.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.45 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.03 -24.27 60.7 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.866 -172.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.3 ttp -87.95 -44.0 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.599 0.238 . . . . 0.0 111.227 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.91 -24.68 30.65 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.661 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 35.7 p -62.44 -46.82 89.87 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.661 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -60.55 -14.24 29.8 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 122.068 1.845 . . . . 0.0 112.886 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.0 tp -87.31 -58.09 2.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.322 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -73.84 -49.28 25.84 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.077 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.593 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -98.27 64.14 1.6 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.391 0.615 . . . . 0.0 110.669 -170.36 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.388 176.738 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.644 0.259 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 32.2 t -169.83 83.1 0.61 Allowed Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.68 -178.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -58.43 -17.45 33.96 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.065 1.843 . . . . 0.0 111.993 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -71.76 -49.75 36.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.131 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 2' ' ' SER . 3.0 pt20 -63.46 -27.58 69.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.118 0.485 . . . . 0.0 110.479 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.08 88.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.86 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.44 -36.93 81.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.752 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -66.85 -43.4 83.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.275 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -56.5 -49.77 73.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.863 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.534 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.1 m-85 -68.85 -43.41 75.5 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.781 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.1 tt0 -63.57 -38.5 91.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.998 -175.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -79.1 -18.27 53.61 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.656 -176.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.402 ' CA ' HG13 ' A' ' 18' ' ' VAL . 13.3 m -55.05 -60.5 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.464 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.496 HD22 ' H ' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -70.72 -26.71 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.048 -178.616 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 11' ' ' GLU . 53.4 t -61.72 -45.13 99.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.493 176.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 11.9 m120 -79.33 -77.08 0.18 Allowed 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.781 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.591 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 176.46 84.05 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.21 0.604 . . . . 0.0 110.296 170.364 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -161.61 127.67 2.36 Favored Pre-proline 0 C--O 1.235 0.332 0 O-C-N 121.315 -0.865 . . . . 0.0 110.353 175.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 34.6 Cg_exo -60.72 152.11 71.73 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.334 2.689 . . . . 0.0 112.503 176.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -55.44 -43.17 75.13 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -177.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -61.79 -42.39 98.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 111.334 -177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -69.28 -34.61 74.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.846 0.355 . . . . 0.0 110.375 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.1 t -64.22 -38.03 89.61 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 28' ' ' SER . 23.0 t80 -56.99 -35.47 69.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.175 176.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -69.69 -30.48 68.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 35.6 ttp -91.33 -53.93 4.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 37.3 m -77.82 -26.07 49.29 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 33.4 m -62.99 -50.66 75.74 Favored Pre-proline 0 CA--C 1.534 0.354 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -51.24 -39.46 62.12 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.962 1.775 . . . . 0.0 112.493 174.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 16.2 tp -56.44 -56.13 25.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.099 175.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -76.86 -54.23 6.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.98 -173.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.513 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 4.3 mmp_? -99.06 81.59 2.61 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.928 0.394 . . . . 0.0 110.154 -178.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.509 176.836 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -157.48 86.98 2.64 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -48.69 -35.23 29.5 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.051 2.5 . . . . 0.0 113.706 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -59.31 -25.74 64.4 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -76.19 -42.84 44.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.165 0.507 . . . . 0.0 109.933 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.66 86.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.337 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 28.4 tptp -61.87 -37.17 83.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -65.7 -43.52 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.6 t -62.87 -51.26 67.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.544 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.1 m-85 -67.74 -30.72 70.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.194 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 15' ' ' VAL . 31.1 tt0 -72.18 -49.45 35.47 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.492 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.85 -23.45 39.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -173.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -58.77 -56.5 21.41 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.922 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.662 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -72.03 -26.4 62.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 178.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.662 ' N ' HD22 ' A' ' 14' ' ' ASN . 49.8 t -67.6 -38.58 80.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.422 0.153 . . . . 0.0 110.778 177.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -68.27 -75.17 0.11 Allowed 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.215 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 88.6 tttt 174.38 85.4 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 O-C-N 123.794 0.683 . . . . 0.0 109.885 167.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -147.1 145.29 21.64 Favored Pre-proline 0 C--O 1.236 0.367 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD2' ' NE2' ' A' ' 22' ' ' GLN . 24.5 Cg_exo -64.25 149.17 90.75 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.893 2.395 . . . . 0.0 111.034 170.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -58.74 -39.8 81.95 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.639 0.257 . . . . 0.0 111.185 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -61.31 -34.67 75.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.862 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.427 ' NE2' ' HD2' ' A' ' 19' ' ' PRO . 7.0 tt0 -73.31 -37.78 66.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.503 175.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 26.6 t -59.34 -39.61 83.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -65.97 -17.63 64.81 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.541 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -81.43 -40.53 23.23 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.889 -0.507 . . . . 0.0 110.004 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.2 ttp -87.72 -42.87 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.181 -175.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.8 m -83.13 -16.44 46.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.66 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 30.2 p -61.76 -46.99 93.14 Favored Pre-proline 0 CA--C 1.543 0.678 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.66 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 51.3 Cg_exo -58.41 -21.65 54.65 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.894 1.73 . . . . 0.0 112.791 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 tt -80.72 -56.81 3.89 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.89 -35.3 78.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.279 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -135.2 90.09 2.59 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.412 -178.082 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -161.71 52.26 0.38 Allowed Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -70.29 -51.34 0.35 Allowed 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.772 1.648 . . . . 0.0 113.082 -176.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.5 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.0 OUTLIER -67.41 -38.95 85.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.122 -176.566 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.78 -43.64 98.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.108 0.48 . . . . 0.0 110.474 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.77 86.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.554 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -64.73 -38.15 90.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.072 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -64.34 -43.09 95.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.359 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.0 t -58.92 -46.98 86.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.954 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.561 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.3 m-85 -72.03 -38.31 69.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.016 -178.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 15' ' ' VAL . 31.6 tt0 -65.22 -45.15 85.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.527 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.566 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -68.09 -21.43 64.97 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.214 -176.78 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.441 ' CA ' HG13 ' A' ' 18' ' ' VAL . 49.6 m -59.31 -52.14 66.93 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.131 178.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -77.25 -28.55 53.61 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.939 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 11' ' ' GLU . 73.2 t -62.37 -45.47 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.253 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 77.9 m-20 -81.74 -77.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.286 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 56.3 tttm 172.88 86.94 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 O-C-N 123.452 0.47 . . . . 0.0 110.54 170.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.441 HG13 ' CA ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -159.38 130.94 3.99 Favored Pre-proline 0 N--CA 1.466 0.352 0 O-C-N 121.709 -0.619 . . . . 0.0 110.637 176.059 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 32.3 Cg_exo -59.64 152.15 64.63 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.659 2.906 . . . . 0.0 112.765 177.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.33 -39.6 83.64 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.726 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -65.11 -42.24 94.14 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.236 -0.186 . . . . 0.0 111.091 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -70.15 -36.07 74.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 110.304 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 12.1 t -60.62 -41.99 95.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -57.92 -35.46 71.1 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.218 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -66.12 -35.24 79.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.151 0.5 . . . . 0.0 110.211 -175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.416 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 34.3 ttp -90.15 -43.63 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.071 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.5 m -81.96 -16.09 51.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -174.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.68 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.8 p -58.47 -49.82 91.42 Favored Pre-proline 0 CA--C 1.541 0.635 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.783 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.68 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 73.2 Cg_exo -54.89 -29.2 62.45 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 122.028 1.819 . . . . 0.0 112.984 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -70.67 -54.16 12.94 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -70.98 -47.99 55.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.658 -173.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -145.39 126.53 14.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.834 0.35 . . . . 0.0 110.444 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.822 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.083 0.468 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.538 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 11.4 t -165.12 68.74 1.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.71 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -56.17 -26.88 62.87 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.307 2.005 . . . . 0.0 112.881 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.616 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.0 OUTLIER -69.0 -38.59 79.38 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.127 -178.28 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 2' ' ' SER . 1.7 pt20 -66.15 -31.77 72.81 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.228 0.537 . . . . 0.0 109.931 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.13 -44.63 71.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.176 174.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -61.32 -38.2 86.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.239 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -61.43 -38.67 87.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.213 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.7 t -63.13 -49.09 75.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.13 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.628 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.4 m-85 -72.22 -22.98 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.005 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.9 tm-20 -81.96 -51.42 8.08 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -78.05 -19.84 53.51 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 p -59.45 -53.93 52.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.678 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -73.33 -28.76 62.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.017 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' GLU . 53.5 t -62.63 -40.78 89.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.648 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.4 m120 -68.69 -75.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.6 tttt 174.44 86.38 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.582 0.552 . . . . 0.0 110.081 167.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -145.5 145.32 25.61 Favored Pre-proline 0 C--O 1.235 0.307 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 173.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.37 154.51 73.31 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.77 2.313 . . . . 0.0 111.653 171.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -55.3 -44.56 75.85 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 117.557 0.162 . . . . 0.0 111.373 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.588 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.9 p-10 -59.4 -39.99 85.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.756 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -65.38 -41.03 94.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.992 0.425 . . . . 0.0 110.428 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.628 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.0 t -60.61 -42.95 97.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.246 0.546 . . . . 0.0 109.531 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -63.54 -28.71 70.13 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.59 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 75.0 mt-30 -73.03 -37.15 67.02 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.747 -175.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 56.7 mtm -86.06 -41.87 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.721 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.8 m -84.17 -12.22 55.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -173.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.663 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.8 p -62.5 -50.26 79.6 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.663 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.7 Cg_exo -58.64 -21.94 58.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 121.645 1.563 . . . . 0.0 112.363 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -80.85 -63.47 1.4 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -70.18 -37.04 75.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.609 -173.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 59.21 74.36 0.44 Allowed 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 -174.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 m . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.438 -178.386 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.577 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 71.1 m -153.38 65.51 5.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 C-N-CA 121.258 -0.177 . . . . 0.0 111.005 -178.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -57.28 -28.19 78.63 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.351 2.034 . . . . 0.0 113.441 -176.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.413 HE22 ' HB3' ' A' ' 2' ' ' SER . 5.4 pm0 -67.71 -33.33 74.69 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -175.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.9 pt20 -69.49 -37.91 77.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.39 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.62 -43.61 76.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.054 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -62.64 -31.5 72.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.026 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.459 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 63.7 t80 -67.35 -41.54 85.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.442 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.53 -46.79 88.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.193 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.567 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 85.2 m-85 -74.4 -24.07 59.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.904 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.8 pt-20 -76.57 -47.67 21.75 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.611 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.557 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -75.69 -26.03 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.226 -0.296 . . . . 0.0 111.573 -172.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HB2' HG21 ' A' ' 18' ' ' VAL . 28.9 p -59.81 -55.19 37.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.475 0.179 . . . . 0.0 110.974 -176.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.669 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -73.36 -26.55 61.06 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.612 179.087 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.669 ' N ' HD22 ' A' ' 14' ' ' ASN . 36.9 t -62.63 -42.37 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 11.6 m120 -70.93 -76.4 0.1 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.714 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.57 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.34 85.22 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 O-C-N 123.792 0.683 . . . . 0.0 110.078 168.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.422 HG21 ' HB2' ' A' ' 13' ' ' CYS . 1.3 m -144.56 142.32 19.09 Favored Pre-proline 0 C--O 1.235 0.29 0 O-C-N 120.843 -1.161 . . . . 0.0 110.365 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.411 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 20.4 Cg_exo -66.72 154.99 72.54 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.846 2.364 . . . . 0.0 111.161 169.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.18 -42.56 66.32 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.123 0.419 . . . . 0.0 111.586 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.536 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 6.6 p-10 -58.71 -40.5 83.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.52 0.2 . . . . 0.0 110.582 -178.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -65.67 -40.89 92.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.795 0.331 . . . . 0.0 110.525 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.6 t -61.43 -43.86 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.14 -30.69 71.21 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.595 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 21.9 mm-40 -70.28 -38.45 75.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.978 0.418 . . . . 0.0 110.733 -176.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.9 ttp -82.93 -39.53 21.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.741 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.1 m -86.12 -14.73 43.33 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -174.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.69 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 4.6 p -59.13 -51.19 83.48 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.69 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.9 Cg_exo -61.9 -12.8 27.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 121.99 1.794 . . . . 0.0 112.95 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -91.68 -65.69 0.99 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.271 0.557 . . . . 0.0 109.584 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -73.2 -54.45 8.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.91 -170.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -128.72 87.81 2.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.92 0.39 . . . . 0.0 110.849 -174.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.434 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . 22.9 p . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.732 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.95 0.405 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -158.0 61.3 2.11 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.783 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.98 -54.77 4.51 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.91 2.407 . . . . 0.0 113.838 -174.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -58.15 -45.95 86.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.371 . . . . 0.0 111.418 -176.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 13.2 mm-40 -71.27 -40.26 71.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.004 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.26 86.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.812 0.339 . . . . 0.0 110.246 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -62.37 -39.48 93.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.012 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.536 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 55.4 t80 -66.5 -37.72 85.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.235 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.57 -50.58 73.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.663 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -78.31 -26.64 47.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.379 -175.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.553 ' HG3' ' HG2' ' A' ' 12' ' ' GLN . 10.5 pt-20 -74.18 -46.6 41.09 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.843 -178.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.553 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -79.83 -24.54 41.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -173.527 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.469 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.9 p -58.26 -53.58 56.72 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.059 -0.257 . . . . 0.0 111.126 -174.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.91 -28.79 61.71 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.639 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.1 t -66.32 -40.48 86.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 0.0 110.402 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 90.0 m-20 -70.08 -73.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 54.6 tttm 176.69 84.5 0.01 OUTLIER 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.355 0.409 . . . . 0.0 110.937 169.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.521 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -150.6 143.0 16.0 Favored Pre-proline 0 C--O 1.235 0.312 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.577 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' O ' HG23 ' A' ' 18' ' ' VAL . 18.8 Cg_exo -65.99 148.22 85.49 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.472 2.115 . . . . 0.0 110.935 171.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.74 -42.08 74.87 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.23 0.468 . . . . 0.0 111.272 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -56.33 -44.1 79.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.995 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.521 ' OE1' ' HB ' ' A' ' 18' ' ' VAL . 35.8 tt0 -64.43 -38.08 89.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.228 177.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.8 t -63.26 -45.36 91.85 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.91 -40.19 94.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -66.19 -32.0 73.17 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.838 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.5 ttp -90.03 -41.36 11.75 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -92.45 -9.23 42.27 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -172.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.602 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.3 p -58.69 -43.73 98.19 Favored Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.602 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.5 Cg_exo -59.63 -11.16 13.4 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 121.863 1.709 . . . . 0.0 113.271 175.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -89.3 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -73.43 -31.6 63.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.574 -175.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -121.63 56.05 1.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -176.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.15 179.602 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 121.015 0.436 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.575 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 10.7 t -161.37 72.94 2.57 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -177.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -52.12 -28.73 34.21 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.777 2.318 . . . . 0.0 113.151 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -61.29 -30.99 70.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.575 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.2 pt20 -73.34 -26.87 61.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.09 0.471 . . . . 0.0 110.588 -177.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.4 95.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.613 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -64.68 -32.12 73.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.179 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -64.35 -45.31 88.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.127 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -60.79 -49.94 75.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.315 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.651 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 76.5 m-85 -70.36 -29.11 65.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.888 -178.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.2 tt0 -75.61 -52.78 9.78 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.813 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -76.59 -21.72 55.21 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -171.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.475 ' O ' HG13 ' A' ' 18' ' ' VAL . 31.7 p -60.04 -55.0 39.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.005 0.431 . . . . 0.0 110.163 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 4.5 t-20 -70.58 -28.95 65.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.632 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 11' ' ' GLU . 48.0 t -66.44 -44.33 90.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.75 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 15.2 m120 -65.37 -74.69 0.1 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 60.1 tttp 175.25 84.66 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 O-C-N 123.588 0.555 . . . . 0.0 110.469 166.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER -145.21 141.85 17.63 Favored Pre-proline 0 C--O 1.235 0.341 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 172.596 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -68.51 155.31 69.46 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.08 2.52 . . . . 0.0 111.757 170.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -51.59 -43.3 62.43 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.09 -39.87 87.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.37 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -69.07 -36.47 77.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.953 0.406 . . . . 0.0 110.102 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.651 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.5 t -62.41 -43.55 98.55 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -59.89 -36.04 76.1 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.212 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -65.54 -36.25 83.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 0.0 110.81 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.433 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 42.7 ttp -86.93 -42.4 13.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.708 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.9 m -84.64 -18.11 36.45 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -173.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.637 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 58.7 p -62.56 -44.27 86.55 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 78.2 Cg_exo -56.11 -20.68 31.79 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 121.962 1.775 . . . . 0.0 112.566 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 tt -90.71 -63.33 1.29 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -70.69 -59.26 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.055 -170.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -130.45 106.21 8.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.092 0.472 . . . . 0.0 111.553 -176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.519 ' OG ' ' HA ' ' A' ' 29' ' ' PRO . 73.1 m . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.018 174.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.48 0.181 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -174.34 73.47 0.33 Allowed Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.68 -31.18 94.28 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.666 2.244 . . . . 0.0 113.799 -176.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -76.75 -47.3 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.918 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.45 -32.71 74.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 110.156 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.45 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -62.28 -43.26 99.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.636 176.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -65.08 -34.43 78.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.044 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -65.12 -45.11 86.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.075 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.3 t -56.78 -52.36 65.33 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.537 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.662 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m-85 -70.82 -19.29 62.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.005 -176.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.5 tt0 -79.61 -50.53 10.53 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.641 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -80.56 -22.06 41.13 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -171.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.406 ' O ' HG13 ' A' ' 18' ' ' VAL . 26.9 p -60.29 -54.37 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.198 -0.201 . . . . 0.0 111.123 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -71.72 -28.57 63.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.571 0.224 . . . . 0.0 111.355 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 11' ' ' GLU . 55.7 t -64.01 -35.61 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.739 0.304 . . . . 0.0 110.26 176.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.2 m120 -75.33 -73.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 57.2 tttp 176.25 83.87 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.484 0.49 . . . . 0.0 110.372 170.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -152.47 142.7 15.15 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 172.58 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' O ' HG23 ' A' ' 18' ' ' VAL . 15.7 Cg_exo -68.82 154.73 70.57 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.762 2.308 . . . . 0.0 111.786 170.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -51.0 -46.09 61.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 117.723 0.238 . . . . 0.0 111.325 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.58 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.9 p30 -59.06 -41.37 87.77 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.205 -178.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -67.81 -35.41 78.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.868 0.366 . . . . 0.0 110.519 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.662 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 12.1 t -63.12 -41.38 99.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.28 -33.24 75.09 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.501 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 27.6 mt-30 -65.2 -36.04 82.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.054 0.454 . . . . 0.0 110.419 -175.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.5 ttp -82.85 -48.02 11.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.094 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.27 7.51 40.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -172.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.628 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.0 p -54.57 -46.22 99.28 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-O 119.068 -0.492 . . . . 0.0 112.301 172.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.628 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 53.2 Cg_exo -61.03 -14.6 34.12 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.871 1.714 . . . . 0.0 112.94 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 6' ' ' ALA . 1.9 tt -91.29 -60.53 1.87 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -78.01 -51.25 10.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.467 -174.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 62.99 95.87 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.332 0.587 . . . . 0.0 111.938 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.425 176.645 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.6 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 7.4 t -166.11 71.27 1.21 Allowed Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.04 -19.45 40.75 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.325 2.016 . . . . 0.0 113.307 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -70.81 -37.14 73.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.814 -0.176 . . . . 0.0 111.216 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.8 pt20 -65.44 -34.27 77.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.956 0.408 . . . . 0.0 110.507 -178.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.29 -43.96 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.213 174.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HZ3' ' HB3' ' A' ' 11' ' ' GLU . 26.6 tptp -59.38 -39.36 83.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.366 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.451 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 53.0 t80 -66.44 -38.84 88.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.747 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.62 -45.25 94.72 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.305 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.523 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 70.3 m-85 -74.33 -40.13 62.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.364 -176.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.8 pt-20 -71.62 -36.34 70.75 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.38 -176.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.437 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -67.47 -23.32 65.49 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.172 177.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' O ' HG13 ' A' ' 18' ' ' VAL . 51.0 m -57.39 -54.36 47.68 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.88 176.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -72.63 -27.81 62.36 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.957 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 11' ' ' GLU . 72.6 t -65.9 -37.74 80.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.527 176.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.593 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 13.8 m120 -81.32 -77.42 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.962 178.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 31.7 mttm 172.96 85.77 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.339 1.056 . . . . 0.0 109.961 169.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -160.27 129.81 3.29 Favored Pre-proline 0 CA--C 1.537 0.451 0 O-C-N 121.898 -0.501 . . . . 0.0 110.929 177.505 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 25.9 Cg_exo -63.23 151.59 84.08 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.392 2.728 . . . . 0.0 112.59 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -54.15 -45.53 72.04 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -174.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -60.78 -38.52 85.58 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.693 0.282 . . . . 0.0 111.296 -176.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -71.95 -36.36 69.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.319 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 30.8 t -62.12 -39.82 93.8 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.98 -29.39 65.19 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.6 177.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -75.16 -27.84 59.85 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.551 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 43.7 ttp -90.74 -46.1 8.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.865 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.7 m -84.41 -2.2 56.78 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.627 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 2.7 p -58.99 -49.88 90.95 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.627 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 50.0 Cg_exo -58.22 -16.59 28.62 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 121.839 1.693 . . . . 0.0 112.658 177.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.443 HD21 ' HG3' ' A' ' 5' ' ' GLN . 2.4 tt -90.55 -64.38 1.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.896 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -74.86 -26.11 59.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.011 -172.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -114.27 117.26 30.63 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -175.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.5 m . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.736 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.784 0.326 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -157.55 67.45 3.88 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.048 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -50.39 -36.63 48.73 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.955 2.437 . . . . 0.0 113.844 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -66.57 -40.75 89.15 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -174.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -77.49 -28.46 52.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.335 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.64 89.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.507 176.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.24 -35.21 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.638 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -66.9 -41.66 86.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.031 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.8 t -61.12 -48.69 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.203 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -72.17 -22.25 61.32 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -87.89 -43.49 11.76 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.514 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -81.79 -17.9 45.99 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -175.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.1 p -56.54 -55.32 35.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -70.62 -28.18 64.64 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.498 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.3 t -65.27 -40.5 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.743 0.306 . . . . 0.0 110.659 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -69.04 -74.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.552 ' O ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.93 85.29 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.898 0.749 . . . . 0.0 110.322 169.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -149.69 144.2 17.54 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 121.278 -0.889 . . . . 0.0 109.763 173.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -68.4 154.92 70.88 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.906 2.404 . . . . 0.0 111.484 168.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -51.66 -45.53 63.43 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.871 0.305 . . . . 0.0 111.555 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 5.5 p-10 -59.16 -39.93 84.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.699 0.285 . . . . 0.0 111.027 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -66.57 -37.85 85.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.85 0.357 . . . . 0.0 110.468 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.0 t -59.85 -44.76 93.94 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.94 -40.93 95.16 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.249 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 51.2 mt-30 -62.31 -39.37 92.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.809 0.338 . . . . 0.0 111.108 -174.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.9 ttp -83.19 -45.83 13.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.898 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.9 m -86.26 -15.82 39.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -172.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.665 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 38.9 p -62.97 -47.2 87.07 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.665 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 53.0 Cg_exo -60.46 -15.22 34.66 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 121.946 1.764 . . . . 0.0 112.788 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.56 -59.08 2.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' OE2' ' HB2' ' A' ' 32' ' ' ARG . 9.3 tm-20 -70.53 -44.13 68.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.055 -174.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.422 ' HB2' ' OE2' ' A' ' 31' ' ' GLU . 6.3 tpp180 -136.15 96.2 3.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.861 0.363 . . . . 0.0 110.956 -171.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.32 -0.706 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.266 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.574 0.226 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.524 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 2.5 t -162.64 53.52 0.41 Allowed Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.959 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' A' ' 2' ' ' SER . 34.3 Cg_exo -56.77 -52.63 6.45 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.658 2.239 . . . . 0.0 113.743 -176.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.499 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.0 OUTLIER -65.36 -43.95 89.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.679 0.276 . . . . 0.0 111.588 -175.369 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.62 -29.22 69.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.797 0.332 . . . . 0.0 110.965 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.13 -32.92 74.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.693 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -61.04 -32.09 71.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.072 177.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.498 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 80.3 t80 -67.59 -36.23 80.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.432 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.3 t -62.97 -50.71 69.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.948 0.404 . . . . 0.0 110.05 174.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.511 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 46.1 m-85 -65.26 -26.49 68.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.023 -176.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 15' ' ' VAL . 10.6 pt-20 -78.88 -50.4 11.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.54 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.47 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -73.06 -25.78 61.04 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -174.615 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -59.53 -47.61 84.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.909 0.385 . . . . 0.0 110.336 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -74.55 -28.96 61.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.759 178.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.7 t -68.19 -40.61 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.682 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 12.2 m120 -70.51 -76.39 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 20.5 mttm 173.27 85.89 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.829 0.852 . . . . 0.0 110.36 168.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -143.15 143.63 25.45 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.75 153.63 71.14 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.63 2.22 . . . . 0.0 111.171 171.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -57.07 -43.17 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.749 0.249 . . . . 0.0 110.949 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -57.58 -40.75 79.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.646 0.26 . . . . 0.0 110.915 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -65.7 -41.76 91.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.521 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.511 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.2 t -60.53 -43.55 97.04 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.81 -45.75 92.51 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.352 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -64.86 -31.3 72.46 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.36 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.0 ttp -78.35 -50.3 12.01 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.585 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.7 m -107.16 5.63 27.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -171.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.687 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.8 p -59.58 -47.13 98.4 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.235 170.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.687 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 32.2 Cg_exo -63.94 -15.11 47.24 Favored 'Trans proline' 0 C--N 1.364 1.346 0 C-N-CA 121.971 1.781 . . . . 0.0 112.836 174.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.3 -56.28 4.69 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 2.6 tm-20 -78.19 -71.48 0.42 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.629 -174.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 14.5 mmm180 -159.41 126.28 4.61 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.322 -0.597 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -178.065 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 121.025 0.441 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 10.2 t -163.78 70.22 1.74 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.924 -178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.93 -16.76 33.74 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.275 1.984 . . . . 0.0 112.875 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.83 -29.73 70.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.563 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 2' ' ' SER . 3.2 pt20 -68.48 -38.68 81.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.33 0.586 . . . . 0.0 110.242 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.19 -39.63 75.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.184 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -64.13 -36.55 84.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.266 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.46 -40.5 96.83 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.172 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t -63.97 -50.49 68.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.362 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.607 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m-85 -64.32 -24.19 67.56 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.884 0.373 . . . . 0.0 111.445 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 15' ' ' VAL . 9.3 tp10 -73.41 -62.48 1.46 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.12 0.486 . . . . 0.0 110.185 176.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -72.64 -20.12 61.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -171.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 31.9 p -59.17 -60.98 3.0 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.416 -174.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.531 HD22 ' H ' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -70.77 -27.89 64.26 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.901 -0.319 . . . . 0.0 111.131 178.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 11' ' ' GLU . 41.4 t -58.6 -43.06 86.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 O-C-N 123.138 0.274 . . . . 0.0 110.57 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -70.26 -74.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 22.6 pttp 176.68 84.47 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.646 0.591 . . . . 0.0 110.786 169.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -146.2 141.13 16.14 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 121.565 -0.71 . . . . 0.0 109.523 173.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.66 155.18 70.42 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.946 2.431 . . . . 0.0 111.362 169.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -52.41 -44.05 65.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 117.952 0.342 . . . . 0.0 111.636 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -59.55 -39.85 85.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.718 0.294 . . . . 0.0 110.711 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.27 -39.27 89.31 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.822 0.344 . . . . 0.0 110.211 176.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.607 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 34.9 t -60.76 -44.9 96.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -59.89 -40.71 89.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -68.98 -27.48 65.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.521 -173.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.2 ttp -90.33 -47.57 7.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.706 0.289 . . . . 0.0 111.39 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.0 m -77.11 -26.85 53.75 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.574 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 47.2 t -64.9 -54.55 34.15 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 120.211 -0.595 . . . . 0.0 111.451 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.675 ' O ' ' HB2' ' A' ' 33' ' ' SER . 55.6 Cg_exo -57.66 -21.35 46.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.116 1.877 . . . . 0.0 112.968 175.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.6 -57.21 5.46 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -68.05 -49.44 61.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.269 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -136.08 116.44 13.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -175.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.675 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 8.2 t . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.557 0.218 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.567 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 17.1 t -167.74 79.34 0.89 Allowed Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -174.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -55.89 -27.96 65.6 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.292 1.994 . . . . 0.0 112.686 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -69.63 -42.21 74.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.315 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.0 pt20 -65.19 -31.21 72.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.124 0.487 . . . . 0.0 110.264 -178.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.68 85.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.586 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -65.3 -32.52 74.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.775 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -64.48 -41.16 96.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.182 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 t -60.99 -48.57 81.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.869 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.2 m-85 -68.63 -29.28 67.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.99 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 15' ' ' VAL . 34.8 tt0 -72.56 -48.8 37.1 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.59 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.554 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.78 -25.24 38.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -171.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' HG13 ' A' ' 18' ' ' VAL . 31.4 p -56.73 -56.36 22.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.608 0.242 . . . . 0.0 110.989 -175.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.708 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -71.76 -27.05 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.708 ' N ' HD22 ' A' ' 14' ' ' ASN . 49.8 t -66.2 -36.74 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.625 0.25 . . . . 0.0 110.462 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -72.45 -75.58 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.58 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER 176.95 84.96 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 O-C-N 123.647 0.592 . . . . 0.0 110.5 168.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER -147.09 140.77 15.24 Favored Pre-proline 0 C--O 1.235 0.298 0 O-C-N 121.076 -1.015 . . . . 0.0 109.662 173.603 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.76 153.1 79.6 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.951 2.434 . . . . 0.0 111.743 172.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -54.67 -45.63 73.9 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.587 0.218 . . . . 0.0 111.587 -175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.92 -36.13 76.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.179 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.51 -40.35 73.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.783 0.325 . . . . 0.0 110.296 175.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 28.9 t -61.08 -43.25 99.17 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -60.2 -37.83 81.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.27 177.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -72.17 -28.48 63.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.1 ttp -90.37 -47.75 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.8 m -83.11 -20.57 34.59 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -172.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.508 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 27.8 t -62.22 -52.93 63.18 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 121.828 -0.545 . . . . 0.0 111.982 178.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.508 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 78.2 Cg_exo -56.02 -21.57 34.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 122.204 1.936 . . . . 0.0 113.101 175.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -75.01 -50.13 17.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 177.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -79.99 -65.71 0.97 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.694 -173.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 58.46 84.89 0.1 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.538 0.524 . . . . 0.0 111.829 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.805 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.227 0.537 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -156.48 75.22 4.65 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.755 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.9 -13.73 28.69 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.336 2.024 . . . . 0.0 112.495 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.83 -47.86 9.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.062 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -68.29 -33.39 74.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.329 -178.679 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 5' ' ' GLN . . . -67.36 -37.14 82.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.227 175.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -66.18 -29.9 70.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.835 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.49 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 74.6 t80 -66.71 -42.54 86.22 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.189 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 t -53.96 -53.33 54.37 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.033 0.444 . . . . 0.0 110.372 175.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.46 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 67.8 m-85 -65.33 -34.51 78.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.323 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.7 tp10 -59.59 -50.6 73.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.284 177.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 24.3 mm-40 -61.07 -27.34 68.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.604 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.469 ' HB3' HG22 ' A' ' 18' ' ' VAL . 59.4 m -61.84 -52.04 65.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.127 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -75.63 -28.0 58.64 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.864 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 11' ' ' GLU . 52.9 t -61.71 -43.02 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.686 175.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -86.0 -78.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.613 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.5 tptt 173.38 86.88 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.076 0.55 . . . . 0.0 109.807 174.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.469 HG22 ' HB3' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -154.66 131.92 6.2 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 121.627 -0.671 . . . . 0.0 110.046 175.051 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.0 150.8 84.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.058 2.506 . . . . 0.0 111.879 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -57.59 -41.07 80.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.405 0.145 . . . . 0.0 111.071 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -58.9 -38.32 78.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.769 0.319 . . . . 0.0 111.363 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -75.16 -41.26 58.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.521 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 10.2 t -62.64 -36.42 82.76 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.165 0.507 . . . . 0.0 109.861 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.4 -32.92 71.78 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.273 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -76.3 -18.25 59.05 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.776 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.4 ttp -90.18 -44.95 9.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.829 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.3 m -106.99 6.29 28.96 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -174.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.633 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 8.0 p -59.88 -43.63 95.18 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.803 168.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.633 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.8 Cg_exo -60.93 -11.13 16.82 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 121.893 1.729 . . . . 0.0 112.498 173.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt -90.31 -70.34 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.97 -72.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.47 -175.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -157.49 149.08 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.244 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.038 -179.59 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.582 0.23 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.407 ' OG ' ' HB2' ' A' ' 5' ' ' GLN . 8.1 t -158.15 70.41 3.97 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -174.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.25 -54.72 4.52 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.912 2.408 . . . . 0.0 113.951 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.66 -43.62 98.35 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.627 0.251 . . . . 0.0 111.56 -175.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.407 ' HB2' ' OG ' ' A' ' 2' ' ' SER . 14.1 mm100 -69.8 -36.99 76.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.044 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.34 80.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.711 0.291 . . . . 0.0 110.475 175.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -63.73 -35.85 81.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.863 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.7 -40.25 94.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.346 176.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.8 t -64.41 -50.22 68.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.92 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.51 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 49.9 m-85 -65.46 -25.72 67.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.702 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 34.2 tt0 -80.33 -51.61 8.67 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.626 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.426 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -78.67 -19.83 51.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.431 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.9 p -56.73 -55.86 28.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.679 0.276 . . . . 0.0 110.596 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -74.42 -31.23 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.64 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' GLU . 73.4 t -62.92 -43.88 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.484 0.183 . . . . 0.0 110.525 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 92.8 m-20 -66.22 -74.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 82.2 tttt 175.94 85.1 0.0 OUTLIER 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.516 0.51 . . . . 0.0 110.744 168.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -147.19 143.34 18.04 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 171.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.91 155.11 72.22 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.886 2.391 . . . . 0.0 111.233 169.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -52.54 -43.75 65.37 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.147 0.43 . . . . 0.0 111.63 -177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -57.67 -36.47 71.95 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.737 0.303 . . . . 0.0 110.907 -178.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -71.71 -35.69 70.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.835 0.35 . . . . 0.0 110.713 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.5 t -65.74 -42.71 90.66 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -65.33 -27.34 68.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.467 0.651 . . . . 0.0 110.604 175.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -74.23 -39.63 62.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.346 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 38.2 ttp -91.61 -53.02 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 61.5 m -79.92 -31.09 40.12 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -169.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.443 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 21.4 m -63.59 -46.8 83.46 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -176.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 84.6 Cg_exo -53.95 -31.24 62.47 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 122.016 1.811 . . . . 0.0 112.814 173.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 3.7 tt -64.89 -50.39 66.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.577 0.703 . . . . 0.0 109.105 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' OE2' ' HG2' ' A' ' 32' ' ' ARG . 4.4 tm-20 -72.63 -46.9 51.76 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.838 -173.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.43 ' HG2' ' OE2' ' A' ' 31' ' ' GLU . 12.2 mmm180 -136.07 142.4 44.34 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.392 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.179 0.514 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.424 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 51.6 m -147.61 58.04 3.76 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.577 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.431 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 32.6 Cg_exo -58.81 -66.74 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.056 2.504 . . . . 0.0 114.023 -169.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.84 -37.62 85.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.753 0.311 . . . . 0.0 111.248 -175.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -64.35 -41.89 96.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.854 0.359 . . . . 0.0 110.538 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.73 97.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.13 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 3' ' ' PRO . 45.0 mmtm -64.67 -36.87 85.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.53 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -65.01 -41.47 95.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.246 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.7 t -62.82 -50.99 68.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.223 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.502 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 59.2 m-85 -66.28 -24.82 66.63 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.397 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 15' ' ' VAL . 31.4 tt0 -75.05 -56.77 4.4 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.25 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.542 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -73.17 -22.31 60.52 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -170.405 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 p -58.84 -52.95 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.287 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -79.32 -28.16 42.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.131 -0.227 . . . . 0.0 111.358 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 11' ' ' GLU . 76.7 t -64.15 -34.71 70.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 120.702 0.287 . . . . 0.0 110.643 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 12.9 m120 -76.63 -74.84 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.86 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 41.3 tptt 175.2 86.28 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.493 0.496 . . . . 0.0 110.098 170.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 m -147.27 144.83 20.2 Favored Pre-proline 0 C--O 1.235 0.339 0 CA-C-N 118.346 0.521 . . . . 0.0 109.784 173.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.46 155.12 71.67 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.876 2.384 . . . . 0.0 111.351 169.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -53.52 -43.53 68.4 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 117.795 0.27 . . . . 0.0 111.228 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -56.89 -38.09 72.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.246 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -68.58 -39.28 81.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.297 . . . . 0.0 110.654 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.6 t -63.69 -41.3 98.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -61.01 -32.2 71.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.96 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -72.35 -34.13 67.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.504 -175.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 56.8 mtm -91.55 -52.39 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.63 -0.428 . . . . 0.0 112.123 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.6 m -78.85 -31.5 45.69 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -168.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.539 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 23.0 m -67.14 -50.31 41.35 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.305 -0.558 . . . . 0.0 112.325 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 72.9 Cg_exo -56.99 -28.31 77.68 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 121.768 1.645 . . . . 0.0 112.523 173.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.79 -60.47 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.39 -54.02 50.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.858 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -156.93 117.14 3.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.658 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.472 ' HB2' ' HA ' ' A' ' 29' ' ' PRO . 3.5 t . . . . . 0 C--N 1.323 -0.581 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.671 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.66 0.267 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 5' ' ' GLN . 6.8 t -155.97 61.11 2.62 Favored Pre-proline 0 C--N 1.327 -0.394 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.533 -178.521 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.83 -43.99 47.92 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.01 2.473 . . . . 0.0 114.062 -177.065 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -70.4 -47.5 60.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.819 0.342 . . . . 0.0 111.182 -175.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.43 ' HB2' ' OG ' ' A' ' 2' ' ' SER . 27.6 mt-30 -70.17 -34.94 73.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.885 -179.302 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.98 99.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.173 175.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -64.12 -37.14 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.014 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -66.8 -39.13 87.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.022 176.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.4 t -64.36 -54.19 36.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.425 -179.098 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.7 m-85 -65.69 -30.15 70.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 -179.142 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -69.25 -60.95 2.01 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.147 0.498 . . . . 0.0 110.169 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.455 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -76.89 -20.19 56.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 -171.6 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 31.3 p -54.81 -58.9 5.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 118.07 0.396 . . . . 0.0 111.137 -175.543 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.438 HD22 ' H ' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -72.42 -28.06 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.393 179.245 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.56 -44.27 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.5 m120 -63.26 -73.22 0.12 Allowed 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.256 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.2 tttt 175.25 85.4 0.0 OUTLIER 'General case' 0 C--O 1.231 0.128 0 O-C-N 123.672 0.607 . . . . 0.0 110.233 165.508 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -146.57 142.53 17.45 Favored Pre-proline 0 C--O 1.236 0.376 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 21.2 Cg_exo -66.58 154.87 72.82 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.798 2.332 . . . . 0.0 111.308 169.363 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -54.44 -43.08 71.3 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.271 0.487 . . . . 0.0 111.707 -174.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.533 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 7.3 p-10 -59.58 -39.05 82.88 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.671 0.272 . . . . 0.0 110.689 -178.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -65.98 -38.39 88.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.926 0.393 . . . . 0.0 110.334 175.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 23.9 t -63.23 -42.11 99.19 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.723 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.4 -28.21 69.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.509 177.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 78.1 mt-30 -69.6 -40.82 76.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.907 0.384 . . . . 0.0 110.345 -178.481 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.9 ttp -90.74 -51.23 5.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.197 -175.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.6 m -77.6 -30.1 52.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -169.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.467 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 66.6 m -63.28 -48.7 82.3 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 72.3 Cg_exo -55.18 -36.27 92.84 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.923 1.749 . . . . 0.0 112.687 172.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.479 ' O ' HD23 ' A' ' 30' ' ' LEU . 4.0 tt -63.4 -45.48 90.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.602 0.715 . . . . 0.0 109.43 176.745 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -76.6 -38.05 55.46 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.993 -173.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.52 ' HA ' ' HE ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -149.4 124.55 10.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.662 0.267 . . . . 0.0 111.16 -177.693 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.862 173.993 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -164.72 72.99 1.54 Allowed Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -52.72 -28.22 36.99 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.913 2.409 . . . . 0.0 113.286 -179.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -71.88 -44.97 62.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.062 -178.669 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -67.71 -31.71 71.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.145 0.498 . . . . 0.0 110.164 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.99 82.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.246 175.031 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -64.64 -35.58 81.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.959 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -62.66 -41.52 99.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.018 0.437 . . . . 0.0 110.141 176.149 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 t -62.59 -50.47 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.129 179.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -68.27 -32.09 72.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.505 -179.725 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 15' ' ' VAL . 34.3 tt0 -68.96 -52.84 24.79 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.277 178.111 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -21.96 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -172.067 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.452 ' O ' HG13 ' A' ' 18' ' ' VAL . 26.1 p -58.17 -56.76 17.89 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.761 -174.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.671 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -75.17 -27.21 59.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.21 -0.307 . . . . 0.0 111.784 178.542 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.671 ' N ' HD22 ' A' ' 14' ' ' ASN . 52.5 t -61.39 -41.52 90.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 177.238 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 80.3 m-20 -73.28 -75.56 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.984 178.589 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.7 tttt 174.61 85.69 0.0 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.554 0.534 . . . . 0.0 110.014 174.397 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER -150.35 143.22 16.3 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-N 118.367 0.531 . . . . 0.0 109.758 174.501 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.31 155.15 70.31 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 123.06 2.507 . . . . 0.0 111.788 170.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -51.48 -43.85 62.28 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 117.61 0.186 . . . . 0.0 111.428 -178.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -58.87 -39.81 82.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.826 -0.17 . . . . 0.0 111.222 -178.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.536 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 8.4 tt0 -70.52 -36.86 73.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.689 0.28 . . . . 0.0 110.512 176.698 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.5 t -61.61 -45.1 95.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.439 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.12 -40.19 95.66 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.735 178.012 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 11.2 pt20 -69.01 -28.08 66.27 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.93 0.395 . . . . 0.0 110.749 -173.615 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.4 ttp -91.1 -50.3 5.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.8 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.94 -26.55 31.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -171.142 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.46 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 25.2 t -63.35 -49.02 81.15 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.902 -179.015 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 83.1 Cg_exo -52.87 -27.68 35.93 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 121.991 1.794 . . . . 0.0 112.904 175.064 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -75.65 -62.56 1.54 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 176.467 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -59.6 -38.97 82.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.27 -174.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.629 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.1 mmp_? -104.39 104.24 14.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.826 0.346 . . . . 0.0 110.389 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.131 178.421 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.561 0.22 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 10.6 t -163.75 70.9 1.78 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.551 0.215 . . . . 0.0 110.733 -178.634 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.56 -16.66 56.39 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.919 1.746 . . . . 0.0 112.374 177.315 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.59 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.0 OUTLIER -71.98 -38.23 69.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.052 -176.831 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 2' ' ' SER . 3.2 pt20 -65.33 -30.06 70.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.041 0.448 . . . . 0.0 110.542 -179.744 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.97 87.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.183 175.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -64.09 -37.69 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.758 177.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.61 -43.12 99.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.294 177.279 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.82 -50.06 75.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.932 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.735 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.2 m-85 -68.07 -38.76 82.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.933 -178.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 15' ' ' VAL . 29.5 tt0 -69.31 -39.46 78.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.848 -175.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -19.57 60.25 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.289 -0.257 . . . . 0.0 111.347 -178.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.598 ' HB3' HG22 ' A' ' 18' ' ' VAL . 34.8 m -54.35 -53.79 49.18 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.186 0.304 . . . . 0.0 111.699 179.339 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -78.98 -27.77 43.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.679 0.276 . . . . 0.0 110.877 -178.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' GLU . 75.4 t -62.61 -36.36 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.197 175.735 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.591 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 12.1 m120 -81.33 -79.13 0.17 Allowed 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 119.866 -0.733 . . . . 0.0 109.533 176.284 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 67.9 tttt 170.87 85.86 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.653 0.595 . . . . 0.0 109.892 168.649 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -148.8 147.22 23.79 Favored Pre-proline 0 N--CA 1.471 0.59 0 CA-C-N 119.078 0.854 . . . . 0.0 109.976 176.161 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.491 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.0 Cg_exo -64.38 144.19 84.96 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.896 2.398 . . . . 0.0 110.986 171.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -59.71 -37.61 79.34 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.46 -175.225 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.53 -37.09 85.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.252 . . . . 0.0 110.897 178.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.496 ' O ' ' HB3' ' A' ' 25' ' ' GLN . 45.4 tt0 -66.78 -34.77 78.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.38 . . . . 0.0 110.025 173.376 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.735 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 18.6 t -63.92 -42.38 97.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.316 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -57.9 -36.06 71.9 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.589 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.496 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 41.1 tt0 -63.63 -43.86 95.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.008 0.432 . . . . 0.0 110.739 -178.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 44.1 ttp -84.69 -42.96 14.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.305 -174.193 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 60.2 m -84.26 -13.35 52.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -173.417 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.69 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.4 p -62.47 -49.98 81.0 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -178.273 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.69 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 54.7 Cg_exo -56.07 -30.98 81.05 Favored 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 121.892 1.728 . . . . 0.0 112.652 178.727 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.37 -60.14 3.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.158 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -62.56 -44.65 95.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.779 -174.448 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -132.49 122.5 24.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.287 -176.426 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -157.63 66.0 3.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.013 177.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -51.71 -40.42 65.11 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.0 2.467 . . . . 0.0 113.829 -176.267 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.528 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.1 OUTLIER -65.79 -40.25 91.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.618 0.247 . . . . 0.0 111.034 -176.487 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.35 -39.68 92.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.109 0.48 . . . . 0.0 110.418 178.272 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.43 98.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.588 177.885 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.7 -36.78 85.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.091 -179.521 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -65.88 -41.93 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.308 177.086 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.5 t -60.02 -50.01 75.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.266 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -65.32 -39.28 92.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.551 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -63.8 -44.6 92.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 0.0 110.795 -178.347 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.531 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -72.48 -19.01 61.62 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.345 -176.637 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.1 m -55.67 -57.09 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -74.17 -27.58 60.89 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.583 -178.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.01 -37.41 79.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.565 178.557 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.491 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.6 m120 -87.66 -77.55 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.594 -179.849 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 54.9 tttm 173.12 85.71 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.527 0.517 . . . . 0.0 110.214 171.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -162.38 124.85 1.71 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 121.615 -0.678 . . . . 0.0 111.107 175.423 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.25 148.83 68.07 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.332 2.688 . . . . 0.0 112.877 178.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -53.75 -46.76 70.99 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.067 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -64.45 -41.32 96.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.553 0.216 . . . . 0.0 111.044 -175.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.5 -34.96 75.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 109.919 176.102 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 t -59.33 -41.74 89.84 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.92 174.272 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -55.39 -35.71 65.6 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.3 176.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.584 HE21 ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -71.62 -26.24 62.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.957 -175.301 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 49.9 ttp -90.81 -48.57 6.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.28 178.063 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.7 m -78.15 -25.6 47.36 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -173.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.509 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 13.8 t -61.17 -49.07 89.96 Favored Pre-proline 0 CA--C 1.539 0.533 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.604 -179.49 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 81.0 Cg_exo -52.49 -32.43 52.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.279 1.986 . . . . 0.0 113.232 174.574 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 30' ' ' LEU . 3.4 tt -67.34 -48.47 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 176.248 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -75.68 -70.67 0.42 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.337 -173.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.606 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 1.8 mmp_? -157.0 108.78 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.434 0.294 . . . . 0.0 110.987 -179.845 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.496 ' HB2' ' HA ' ' A' ' 29' ' ' PRO . 64.0 m . . . . . 0 C--N 1.325 -0.461 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 173.39 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -163.31 72.39 1.92 Allowed Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -54.25 -20.97 21.11 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.832 2.355 . . . . 0.0 113.102 178.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.74 -30.43 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.539 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -64.34 -37.2 86.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.236 0.541 . . . . 0.0 110.163 177.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.67 95.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.312 177.55 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -67.45 -35.65 79.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.269 -178.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.575 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 78.3 t80 -65.7 -41.71 92.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.438 . . . . 0.0 110.198 175.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.47 -47.57 85.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.988 177.661 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.567 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 40.4 m-85 -70.94 -20.97 62.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.133 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 5.9 pt-20 -82.99 -45.83 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.656 179.744 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.561 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.03 -25.89 40.02 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -174.666 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.8 p -56.1 -49.92 72.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.639 0.257 . . . . 0.0 111.202 -175.019 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -72.51 -29.33 63.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.556 0.217 . . . . 0.0 111.386 178.308 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 11' ' ' GLU . 71.6 t -68.59 -36.99 77.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.391 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.32 -77.48 0.1 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.46 85.02 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.602 0.564 . . . . 0.0 110.502 171.356 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -150.35 148.34 23.97 Favored Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 121.179 -0.951 . . . . 0.0 110.166 176.644 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 18' ' ' VAL . 49.0 Cg_endo -73.57 153.75 49.55 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.724 2.283 . . . . 0.0 111.412 171.016 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.84 -42.68 68.75 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 117.981 0.355 . . . . 0.0 111.375 -176.071 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -58.59 -41.8 86.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.075 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.479 ' HA ' HE21 ' A' ' 25' ' ' GLN . 50.0 tt0 -67.23 -37.34 83.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.248 176.021 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 22.7 t -61.04 -43.47 98.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.564 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -62.22 -37.09 84.05 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.265 177.045 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.479 HE21 ' HA ' ' A' ' 22' ' ' GLN . 46.7 mt-30 -66.33 -40.75 90.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -176.365 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.8 ttp -81.57 -40.68 22.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.746 -176.451 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.2 m -84.15 -16.99 41.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.071 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.709 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.1 p -63.0 -51.89 67.41 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -177.549 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.709 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -59.64 -20.92 60.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 C-N-CA 121.876 1.717 . . . . 0.0 112.595 178.168 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 tt -73.5 -55.78 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.064 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -67.25 -44.38 79.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.118 -177.338 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' HB2' ' HE ' ' A' ' 32' ' ' ARG . 2.7 tpp180 -137.92 102.81 4.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.325 -176.363 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.302 178.308 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.588 0.232 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -164.37 74.54 1.62 Allowed Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.072 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -54.46 -30.49 64.33 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.538 2.159 . . . . 0.0 113.26 -179.422 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -72.18 -41.35 67.1 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.209 -0.197 . . . . 0.0 111.355 -175.687 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -70.16 -35.83 74.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.106 0.479 . . . . 0.0 110.193 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.81 83.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.251 177.188 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -64.46 -35.15 80.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.113 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -65.92 -40.25 91.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.285 176.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.9 t -61.38 -48.82 79.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.343 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -69.85 -23.08 63.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.413 179.484 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.2 tp10 -73.16 -62.91 1.3 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.11 0.481 . . . . 0.0 110.303 179.09 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.496 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -74.28 -18.65 60.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.472 -170.796 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 22.7 p -56.66 -57.37 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.47 0.176 . . . . 0.0 110.83 -175.731 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.417 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 3.3 p-10 -76.29 -28.56 57.06 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 121.106 -0.237 . . . . 0.0 111.194 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 11' ' ' GLU . 77.3 t -61.74 -42.93 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.469 178.866 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 83.2 m-20 -71.83 -74.4 0.16 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.014 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.574 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 177.37 83.91 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 O-C-N 123.639 0.587 . . . . 0.0 111.188 166.738 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.22 143.11 16.24 Favored Pre-proline 0 N--CA 1.464 0.255 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 171.151 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.62 152.77 80.59 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.805 2.336 . . . . 0.0 111.54 172.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -58.84 -38.63 79.14 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -178.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -61.76 -31.24 71.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.998 0.428 . . . . 0.0 110.242 178.02 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -75.17 -38.13 60.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.99 175.109 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 61.1 m -55.29 -42.77 74.05 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.389 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -58.97 -40.71 85.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.812 -179.532 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -73.47 -26.3 60.86 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.535 -173.335 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.1 ttp -91.63 -48.88 6.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.81 0.338 . . . . 0.0 111.546 177.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.9 m -83.43 -31.94 26.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -170.408 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.514 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 74.8 m -64.07 -51.94 59.28 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.03 -179.072 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.514 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 80.2 Cg_exo -52.63 -43.39 55.64 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.0 1.8 . . . . 0.0 112.106 172.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -51.46 -55.68 17.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.455 175.624 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.34 -38.1 81.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.664 -173.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.428 ' HA ' ' HE ' ' A' ' 32' ' ' ARG . 3.2 mmp_? -125.89 80.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.052 0.453 . . . . 0.0 111.306 -175.895 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.816 173.304 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.757 0.313 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -152.67 74.2 7.2 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.996 -178.646 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.07 -36.27 54.02 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.88 2.387 . . . . 0.0 113.727 -176.663 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -66.38 -37.27 84.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 0.0 110.981 -177.558 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.504 HE21 ' HA ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -68.98 -44.53 72.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.403 179.869 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.53 -43.82 96.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.446 177.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -66.91 -33.33 75.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.12 -177.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -69.15 -42.54 75.8 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.274 177.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.5 t -61.64 -47.19 86.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.253 178.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.592 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 50.8 m-85 -71.42 -18.91 62.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.628 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 15' ' ' VAL . 27.9 tp10 -74.54 -64.07 1.11 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.334 0.587 . . . . 0.0 110.331 177.793 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.542 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -70.97 -18.46 62.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.226 -169.362 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 31.6 p -61.58 -57.03 13.68 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.762 -176.693 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.407 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.1 p-10 -73.31 -28.66 62.21 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.452 -0.155 . . . . 0.0 111.352 178.356 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 11' ' ' GLU . 64.7 t -62.31 -36.08 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.482 178.141 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.445 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 13.2 m120 -76.92 -76.62 0.16 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.392 176.224 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.586 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 175.99 86.38 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.669 0.605 . . . . 0.0 110.456 167.073 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -142.91 142.32 21.93 Favored Pre-proline 0 C--O 1.237 0.406 0 O-C-N 121.074 -1.016 . . . . 0.0 109.951 174.127 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -62.08 153.27 70.33 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.933 2.422 . . . . 0.0 111.519 171.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -55.72 -43.25 76.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.806 0.276 . . . . 0.0 111.457 -175.76 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.72 -38.66 85.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.5 0.191 . . . . 0.0 110.973 -178.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.584 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 45.2 tt0 -68.04 -37.86 81.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 110.082 176.366 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.592 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 31.1 t -62.08 -43.08 99.61 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.82 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -62.8 -40.96 98.97 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.394 176.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 5.0 pt20 -69.62 -28.53 66.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.637 0.256 . . . . 0.0 111.012 -172.317 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.468 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 31.5 ttp -86.86 -43.65 12.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.653 0.263 . . . . 0.0 111.327 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.0 m -83.42 -8.4 59.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -176.7 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.71 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 14.6 p -62.19 -49.78 83.01 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.71 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.3 Cg_exo -59.68 -11.49 14.64 Favored 'Trans proline' 0 C--N 1.361 1.209 0 C-N-CA 122.118 1.878 . . . . 0.0 112.801 178.345 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -90.44 -63.49 1.27 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -80.2 -63.71 1.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.165 -171.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.9 113.33 20.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.511 0.672 . . . . 0.0 111.83 -174.599 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.412 ' OG ' ' HA ' ' A' ' 29' ' ' PRO . 60.8 m . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.327 176.236 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.439 0.161 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.431 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 7.9 t 178.64 75.66 0.14 Allowed Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.009 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.27 -32.27 60.06 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.626 2.217 . . . . 0.0 113.338 -176.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.11 -46.04 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.265 -177.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.2 pt20 -68.17 -31.26 70.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.962 0.411 . . . . 0.0 110.588 -176.601 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -39.96 81.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.128 176.101 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -63.06 -35.59 80.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.014 178.349 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -61.72 -43.98 97.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.523 177.274 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.4 t -61.98 -46.24 90.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.044 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.548 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 46.8 m-85 -68.88 -36.61 78.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.837 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.539 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.3 tt0 -72.57 -39.86 67.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.68 -178.111 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -64.39 -23.3 67.24 Favored 'General case' 0 CA--C 1.521 -0.137 0 O-C-N 122.265 -0.272 . . . . 0.0 110.551 177.341 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.539 ' HB3' HG22 ' A' ' 18' ' ' VAL . 53.4 m -59.55 -49.91 75.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.243 178.348 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.22 -28.6 38.56 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.98 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 11' ' ' GLU . 68.8 t -62.15 -51.12 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.62 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.545 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.4 m120 -75.82 -78.91 0.11 Allowed 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.065 -177.645 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 55.0 tttm 171.55 86.61 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.97 0.508 . . . . 0.0 110.649 167.755 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.539 HG22 ' HB3' ' A' ' 13' ' ' CYS . 1.5 m -145.0 140.53 16.27 Favored Pre-proline 0 C--O 1.236 0.353 0 O-C-N 121.521 -0.737 . . . . 0.0 110.053 174.084 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 18' ' ' VAL . 29.3 Cg_exo -61.53 144.52 97.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.953 2.435 . . . . 0.0 111.033 173.49 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -60.91 -37.25 81.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.709 -175.671 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.74 -37.12 85.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.907 0.384 . . . . 0.0 110.318 178.513 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -70.37 -37.71 74.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.201 174.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.9 t -63.44 -38.9 92.93 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.088 0.47 . . . . 0.0 110.015 178.483 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -62.28 -24.43 67.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.858 176.146 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -79.9 -31.7 40.25 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.74 -179.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 45.0 ttp -90.29 -49.12 6.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.039 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.1 m -87.37 -11.75 48.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -170.753 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.649 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 77.2 p -65.16 -45.56 72.2 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.769 -178.29 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.649 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.6 Cg_exo -60.05 -15.73 35.29 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 121.882 1.722 . . . . 0.0 112.966 177.551 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' O ' HD23 ' A' ' 30' ' ' LEU . 4.1 tt -74.49 -49.77 20.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -80.06 -70.33 0.53 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.922 -175.175 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -151.1 128.16 11.11 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.285 176.807 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.322 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.976 0.417 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.561 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 9.1 t -155.14 68.9 5.48 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.945 -177.613 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.39 -20.2 39.01 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.603 2.202 . . . . 0.0 113.486 -179.174 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.578 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.0 OUTLIER -73.33 -37.01 66.28 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.354 -0.216 . . . . 0.0 111.235 178.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 2' ' ' SER . 1.8 pt20 -63.52 -26.83 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.15 0.5 . . . . 0.0 110.167 -179.685 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.36 91.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.41 176.322 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -64.98 -32.21 73.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.059 178.721 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -69.25 -41.56 76.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.119 177.463 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -62.37 -49.74 74.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.253 178.391 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 51.0 m-85 -68.52 -18.93 64.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.738 -178.808 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.2 tp10 -83.32 -62.22 1.64 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.296 176.435 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.449 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -66.06 -20.22 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.343 -172.692 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 26.0 p -57.46 -53.39 58.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.842 0.354 . . . . 0.0 110.233 178.795 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.413 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 15.1 m120 -74.05 -31.62 62.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.912 178.807 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 11' ' ' GLU . 87.1 t -63.69 -38.16 81.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.164 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.48 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.2 m120 -72.88 -76.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 87.8 tttt 174.09 85.94 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.114 0 O-C-N 123.398 0.436 . . . . 0.0 110.092 171.465 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 13' ' ' CYS . 2.0 m -145.93 142.29 17.65 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 121.718 -0.614 . . . . 0.0 110.216 175.699 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -67.13 155.86 68.85 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.029 2.486 . . . . 0.0 111.633 169.277 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -49.46 -45.99 47.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.968 0.349 . . . . 0.0 111.659 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.14 -36.18 72.6 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.885 0.374 . . . . 0.0 110.71 -178.256 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -71.22 -41.6 69.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.263 176.731 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.9 t -61.0 -45.7 93.76 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.564 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -62.32 -43.97 97.58 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.454 177.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -69.71 -23.26 63.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.951 -170.586 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 31.5 ttp -90.33 -46.92 8.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.521 177.065 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 37.8 m -83.57 -21.79 32.54 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -172.72 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.637 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 63.2 p -62.64 -43.85 84.95 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.541 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 62.0 Cg_exo -57.96 -23.94 62.58 Favored 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 121.869 1.713 . . . . 0.0 112.678 174.151 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tt -81.31 -59.98 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.77 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -63.48 -45.05 92.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.856 -174.498 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -118.48 80.34 1.52 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.251 0.548 . . . . 0.0 109.754 -177.822 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.678 -178.699 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.596 0.236 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.494 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 68.2 m -151.53 55.63 1.69 Allowed Pre-proline 0 CA--C 1.538 0.496 0 C-N-CA 121.189 -0.204 . . . . 0.0 111.347 179.466 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 2' ' ' SER . 37.8 Cg_exo -57.01 -51.79 8.11 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.787 2.325 . . . . 0.0 114.353 -174.596 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -62.65 -48.07 80.95 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -172.675 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.465 ' NE2' ' H ' ' A' ' 5' ' ' GLN . 2.0 mp0 -59.86 -40.21 87.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.992 0.425 . . . . 0.0 110.729 178.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.444 ' O ' ' HD2' ' A' ' 10' ' ' TYR . . . -66.38 -41.5 89.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.573 178.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -63.46 -34.47 77.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.213 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -65.68 -43.08 90.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.148 177.241 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.81 -52.45 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.157 176.07 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.583 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 40.1 m-85 -61.15 -27.05 68.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.516 -179.203 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -68.27 -58.86 3.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.098 0.475 . . . . 0.0 110.513 175.825 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -80.76 -23.49 39.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -171.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 30.4 p -58.1 -54.84 42.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.012 0.369 . . . . 0.0 111.444 -174.229 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.07 -28.24 67.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.785 0.326 . . . . 0.0 111.006 178.133 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.73 -41.64 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.758 179.029 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 12.3 m120 -70.89 -75.01 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.17 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.548 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 177.61 84.28 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.494 171.363 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -151.38 140.62 13.82 Favored Pre-proline 0 C--O 1.235 0.327 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 171.661 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.471 ' HD2' ' OE1' ' A' ' 22' ' ' GLN . 23.5 Cg_exo -64.34 150.89 87.44 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.759 2.306 . . . . 0.0 111.485 171.073 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -55.34 -43.76 75.27 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 121.278 -0.169 . . . . 0.0 111.347 -177.462 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.06 -31.41 72.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.756 0.312 . . . . 0.0 110.773 -178.363 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.471 ' OE1' ' HD2' ' A' ' 19' ' ' PRO . 45.2 tt0 -73.0 -38.89 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.139 175.421 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.583 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 13.6 t -63.29 -41.18 98.95 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.608 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 11.0 t80 -63.29 -36.16 82.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.085 175.777 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -68.69 -35.72 77.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.816 -173.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.4 ttp -89.84 -50.29 6.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.265 -175.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.7 m -102.03 4.49 39.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -168.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.539 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 22.8 t -68.1 -49.3 35.58 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 119.516 -0.873 . . . . 0.0 110.438 168.254 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 51.7 Cg_exo -59.35 -22.41 65.4 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.15 1.9 . . . . 0.0 112.929 174.731 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 30' ' ' LEU . 5.6 tt -60.55 -46.88 88.56 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.305 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.71 -71.61 0.47 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.322 -179.37 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -156.05 126.31 6.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.288 -178.737 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 172.297 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.745 0.307 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.42 ' OG ' ' HB2' ' A' ' 5' ' ' GLN . 18.0 t -172.56 73.38 0.44 Allowed Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -178.471 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.11 -41.64 40.63 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.056 2.504 . . . . 0.0 113.945 -175.298 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -73.63 -45.98 49.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.424 -175.61 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.42 ' HB2' ' OG ' ' A' ' 2' ' ' SER . 11.7 mm100 -68.66 -34.0 74.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.862 0.363 . . . . 0.0 110.708 178.879 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.1 96.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.461 176.078 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -63.93 -35.64 81.33 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.435 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 79.0 t80 -64.48 -43.07 95.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.181 176.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t -56.21 -49.77 73.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.748 179.056 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.563 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 71.3 m-85 -70.69 -35.51 72.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.549 -179.27 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 15' ' ' VAL . 46.0 tt0 -64.86 -42.35 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.08 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 32.4 mm-40 -70.87 -20.09 62.56 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.971 -177.355 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.2 m -60.2 -56.34 22.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.958 177.536 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -71.66 -28.02 63.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.771 -178.252 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 11' ' ' GLU . 48.0 t -58.66 -40.03 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.725 176.399 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 42.0 m-80 -86.38 -76.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.401 177.751 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.8 tttt 175.28 85.86 0.0 OUTLIER 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.533 0.52 . . . . 0.0 110.155 171.226 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -161.06 127.34 2.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.196 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.28 154.06 60.93 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.307 2.671 . . . . 0.0 112.845 176.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -54.94 -46.61 75.0 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.567 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.4 -40.09 93.1 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.916 0.389 . . . . 0.0 110.666 -177.8 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -70.12 -33.49 71.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.326 176.628 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 14.7 t -64.81 -38.73 91.97 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.652 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -59.33 -34.43 72.33 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.247 174.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.88 -41.4 95.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.863 0.363 . . . . 0.0 110.256 -178.313 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.435 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 44.5 ttp -88.55 -38.22 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.133 -177.834 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.5 t -89.59 -1.07 57.92 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -174.014 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.566 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 11.2 p -56.13 -41.32 90.43 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.007 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.566 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 78.7 Cg_exo -55.0 -21.91 28.73 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 122.239 1.959 . . . . 0.0 113.468 174.033 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tt -90.5 -70.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.409 . . . . 0.0 109.977 -178.754 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -77.36 -71.97 0.38 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.002 -173.534 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -153.66 139.99 18.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.883 -176.055 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.32 -0.714 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.855 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 t -173.36 84.41 0.39 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.131 -177.426 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.74 -28.05 64.7 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.11 1.873 . . . . 0.0 112.519 178.653 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -65.89 -44.0 86.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.939 -177.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -67.32 -36.93 82.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.731 -178.576 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.67 99.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.447 177.107 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -68.51 -26.58 65.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.288 0.566 . . . . 0.0 110.114 -179.216 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.435 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 85.1 t80 -73.82 -43.5 58.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.513 175.675 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.7 t -60.44 -47.48 85.91 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.507 -179.335 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -70.08 -21.92 63.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.807 -178.885 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.5 tt0 -77.83 -58.58 3.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.156 0.503 . . . . 0.0 110.014 176.204 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.452 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 14.6 mm100 -70.52 -18.35 62.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.285 -171.745 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.0 p -60.82 -54.42 45.37 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.498 -177.708 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -75.45 -29.07 59.55 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.26 178.344 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 11' ' ' GLU . 69.8 t -66.65 -34.86 72.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.318 . . . . 0.0 110.403 178.687 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.489 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 25.1 t-20 -75.02 -74.99 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.007 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 40.0 mttt 174.18 84.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.843 0.857 . . . . 0.0 110.1 170.45 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -149.87 144.15 17.4 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 118.543 0.611 . . . . 0.0 109.677 174.707 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.5 Cg_exo -66.66 154.39 74.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.703 2.269 . . . . 0.0 111.31 170.508 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -54.97 -42.8 72.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 118.165 0.439 . . . . 0.0 111.404 -176.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.4 p-10 -57.41 -44.4 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.965 179.547 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.53 -36.3 83.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.756 0.312 . . . . 0.0 110.583 176.255 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.44 -43.08 93.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -64.68 -37.79 88.79 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 175.464 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 27.0 mt-30 -63.88 -41.61 97.71 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.049 0.452 . . . . 0.0 110.281 -176.116 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 49.8 ttp -83.14 -43.53 16.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.943 -174.743 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.9 m -84.5 -16.07 43.72 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -173.49 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.637 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.9 p -61.49 -46.97 94.41 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -177.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 59.0 Cg_exo -57.27 -18.58 30.92 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 122.065 1.843 . . . . 0.0 113.385 178.645 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -80.21 -60.48 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.619 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -76.15 -60.96 2.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.412 -175.435 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -109.11 86.91 2.37 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.341 -171.437 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.321 -0.649 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.713 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.673 0.273 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.64 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 6.9 t -161.33 69.14 2.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.16 -25.39 54.99 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.287 1.991 . . . . 0.0 113.53 -177.502 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -69.82 -36.36 75.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.478 -177.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.7 pt20 -65.32 -34.16 77.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.021 0.439 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.29 68.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.383 177.131 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 26.7 tptp -64.99 -36.36 84.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.088 -179.463 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -63.18 -41.22 99.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.27 176.602 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.92 -49.53 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.605 -178.803 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -67.98 -28.29 67.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.661 0.267 . . . . 0.0 111.368 -179.67 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -74.96 -56.41 4.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.898 0.38 . . . . 0.0 110.48 178.445 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.444 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -72.62 -19.0 61.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -173.086 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 19.5 p -57.76 -54.3 48.41 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.466 -176.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.419 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.3 p-10 -75.68 -29.23 58.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 178.131 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 11' ' ' GLU . 72.0 t -64.06 -41.42 92.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.637 0.256 . . . . 0.0 110.47 178.757 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 84.4 m-20 -71.06 -74.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.172 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 64.9 tttp 173.11 85.95 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.197 0.599 . . . . 0.0 110.189 167.065 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -147.5 147.1 26.88 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-N 118.711 0.687 . . . . 0.0 109.502 173.456 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.01 153.88 73.46 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.725 2.283 . . . . 0.0 111.258 170.447 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -58.01 -38.87 76.96 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.701 0.228 . . . . 0.0 111.262 -178.313 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.62 -34.57 74.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.352 177.673 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -70.27 -37.89 74.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.108 175.799 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.9 m -56.79 -43.87 81.33 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.868 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' SER . 36.1 t80 -64.93 -34.48 78.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.99 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -72.48 -34.56 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.919 0.39 . . . . 0.0 110.962 -176.334 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.4 ttp -91.09 -50.18 5.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.067 -178.681 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.1 m -82.26 -34.24 28.84 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -169.685 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.468 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 51.0 m -63.17 -48.58 83.23 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -176.299 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.468 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 84.5 Cg_exo -52.94 -40.78 74.86 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.95 1.767 . . . . 0.0 112.582 172.564 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.98 -59.5 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.61 0.719 . . . . 0.0 109.093 175.207 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -58.24 -57.36 13.22 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.626 -173.052 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.53 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.2 mmp_? -148.46 122.89 9.7 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.83 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.437 ' HB2' ' HA ' ' A' ' 29' ' ' PRO . 2.9 t . . . . . 0 C--N 1.323 -0.562 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.824 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.715 0.293 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -174.15 57.73 0.2 Allowed Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 -177.678 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -58.46 -40.64 72.89 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.35 2.034 . . . . 0.0 113.327 -173.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -65.97 -43.16 88.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.553 -177.467 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.24 -37.5 80.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.444 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.12 97.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 177.218 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -66.72 -34.83 78.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.827 0.346 . . . . 0.0 110.211 -178.541 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -64.43 -40.99 96.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.113 176.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.9 t -61.78 -48.2 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.488 179.887 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.654 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 66.7 m-85 -71.14 -27.8 63.82 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.769 -179.026 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.7 OUTLIER -70.84 -57.07 4.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.124 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.522 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -77.68 -19.32 55.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -169.866 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.4 p -60.69 -58.51 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.665 -176.919 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.691 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -69.59 -26.87 64.67 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.207 -0.197 . . . . 0.0 111.283 179.238 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.691 ' N ' HD22 ' A' ' 14' ' ' ASN . 57.0 t -63.44 -40.2 88.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 177.561 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.476 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 12.3 m120 -69.53 -73.72 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 60.6 tttm 175.44 85.17 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 O-C-N 123.733 0.646 . . . . 0.0 110.136 169.275 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -150.07 140.01 13.65 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 118.468 0.577 . . . . 0.0 109.948 175.073 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.99 154.58 72.37 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.989 2.459 . . . . 0.0 111.697 170.586 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -53.24 -44.19 67.92 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.975 0.352 . . . . 0.0 111.675 -174.693 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -61.09 -35.87 78.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -178.162 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.65 -38.77 73.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.869 0.366 . . . . 0.0 110.283 174.1 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.654 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 29.0 t -60.51 -46.03 91.65 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.336 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -58.53 -37.04 74.82 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.152 176.421 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -63.99 -41.4 97.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.805 0.335 . . . . 0.0 110.762 -175.487 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.497 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 32.6 ttp -83.02 -43.21 16.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.653 -177.82 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.7 m -81.13 -16.89 51.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.218 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.652 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 7.4 p -57.97 -49.08 95.64 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.788 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.652 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 80.7 Cg_exo -53.73 -28.76 48.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 122.127 1.885 . . . . 0.0 112.988 177.803 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tt -80.3 -57.42 3.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.507 179.371 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -71.14 -27.56 63.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.977 -173.14 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -139.71 116.01 10.53 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -177.437 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 C--N 1.322 -0.628 0 C-N-CA 121.174 -0.211 . . . . 0.0 110.53 -176.715 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.974 0.416 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.521 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 8.2 t -173.26 67.51 0.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.819 -179.078 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.83 -28.22 47.19 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.482 2.122 . . . . 0.0 112.61 179.399 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -60.55 -38.24 83.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.463 -179.891 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.4 pt20 -65.38 -34.54 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.948 0.404 . . . . 0.0 110.502 -177.344 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.03 -41.28 64.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.432 176.719 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.68 -36.8 84.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.092 179.347 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -65.88 -41.87 91.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.593 178.02 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -61.25 -45.13 95.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.376 -178.306 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.403 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.1 m-85 -78.02 -25.18 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.273 -177.757 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 15' ' ' VAL . 42.2 tt0 -75.48 -50.86 14.46 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.083 179.667 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.491 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.93 -20.95 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -170.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 p -55.92 -57.07 13.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.646 0.26 . . . . 0.0 111.234 -175.615 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -70.12 -28.73 65.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.191 178.917 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' GLU . 79.3 t -64.48 -39.17 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.526 179.246 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 11.1 m120 -69.74 -75.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.576 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 177.45 84.23 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.495 169.575 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -149.54 141.12 14.73 Favored Pre-proline 0 C--O 1.235 0.317 0 O-C-N 121.438 -0.789 . . . . 0.0 109.688 175.431 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.98 154.39 73.57 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.765 2.31 . . . . 0.0 111.213 169.239 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -56.17 -43.95 78.85 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 118.37 0.532 . . . . 0.0 111.653 -175.513 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -60.2 -34.43 73.62 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.754 0.311 . . . . 0.0 110.78 -179.657 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -70.28 -38.17 74.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.385 174.837 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 49.3 t -60.72 -45.81 92.81 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 177.132 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -61.02 -37.49 82.75 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.067 176.412 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -64.02 -35.24 80.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 -175.18 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.464 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 24.3 ttp -85.75 -45.35 11.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.785 -179.119 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.9 m -85.03 -6.89 59.31 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -173.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.595 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.1 p -60.65 -47.76 95.14 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.192 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.595 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 85.7 Cg_exo -53.48 -28.5 45.03 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.866 1.711 . . . . 0.0 112.257 174.853 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tt -81.14 -66.55 0.87 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.614 -178.851 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.47 -72.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.001 -174.578 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -158.5 127.47 5.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.884 0.373 . . . . 0.0 110.554 -178.596 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.503 ' HA ' ' HB2' ' A' ' 28' ' ' SER . 1.8 p . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.281 179.002 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.401 ' OG ' ' HB2' ' A' ' 5' ' ' GLN . 8.1 t -165.39 61.75 0.79 Allowed Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -178.436 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -50.49 -48.73 19.05 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.258 2.639 . . . . 0.0 114.331 -173.52 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.85 -46.63 71.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.736 0.303 . . . . 0.0 111.328 -175.812 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.401 ' HB2' ' OG ' ' A' ' 2' ' ' SER . 28.2 mt-30 -67.71 -32.99 74.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.893 -179.244 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.17 96.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.05 174.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.16 -37.05 85.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.316 179.906 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.425 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 81.3 t80 -65.21 -42.57 93.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 176.406 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.2 t -61.78 -51.32 68.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 -178.426 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.547 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 63.4 m-85 -66.72 -25.06 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.438 -178.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -75.92 -50.42 15.04 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.959 178.049 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 28.4 mm-40 -80.85 -23.41 39.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.344 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 29.8 p -55.49 -59.61 4.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.379 0.133 . . . . 0.0 111.178 -174.772 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.455 HD22 ' H ' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -69.95 -28.14 65.32 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.448 179.013 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.5 -45.08 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.708 0.29 . . . . 0.0 110.477 177.615 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 85.3 m-20 -67.03 -73.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.837 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.5 tttt 175.76 85.44 0.0 OUTLIER 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.407 0.442 . . . . 0.0 110.457 168.3 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -148.93 141.16 14.93 Favored Pre-proline 0 C--O 1.235 0.305 0 O-C-N 121.843 -0.536 . . . . 0.0 109.571 173.588 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.34 154.85 72.64 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.808 2.338 . . . . 0.0 111.414 169.569 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -52.0 -43.96 63.9 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.007 0.367 . . . . 0.0 111.712 -176.146 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.69 -39.55 88.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.935 -179.216 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.02 -38.7 89.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.195 174.757 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.547 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 33.7 t -60.3 -44.29 95.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.745 178.128 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -60.67 -37.51 81.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 177.283 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -70.94 -28.79 64.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.725 0.298 . . . . 0.0 111.208 -174.331 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 44.4 ttp -90.46 -44.13 9.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.521 179.233 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.4 m -82.84 -25.64 32.44 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -173.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.501 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 22.3 t -61.51 -49.7 85.97 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.025 -0.512 . . . . 0.0 112.087 -178.566 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 75.1 Cg_exo -54.58 -24.29 35.96 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.138 1.892 . . . . 0.0 113.059 175.93 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -77.63 -58.28 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.701 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -64.94 -66.7 0.51 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.175 -174.663 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 49.4 46.64 23.12 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.421 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.118 -177.24 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.735 0.302 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -148.17 67.33 9.87 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.92 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -53.26 -32.92 63.01 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.983 2.455 . . . . 0.0 113.751 -177.487 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -71.44 -46.39 60.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.719 0.295 . . . . 0.0 111.075 -176.321 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -69.91 -39.09 76.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 -179.01 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.35 90.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.262 176.5 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.3 -31.12 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.81 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -66.95 -42.47 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.26 176.55 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.2 t -60.05 -46.17 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.933 178.391 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.494 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 54.6 m-85 -69.08 -34.34 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.437 179.472 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 15' ' ' VAL . 8.7 tp10 -60.91 -52.22 65.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.069 0.462 . . . . 0.0 110.357 177.8 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.501 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -61.34 -25.13 66.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -178.324 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.465 ' CA ' HG13 ' A' ' 18' ' ' VAL . 53.4 m -61.59 -51.23 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.36 177.361 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -75.27 -26.93 59.19 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.778 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 11' ' ' GLU . 69.0 t -65.06 -45.49 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.871 175.739 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' C ' ' HG3' ' A' ' 17' ' ' LYS . 12.1 m120 -86.56 -77.9 0.3 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.261 -174.866 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HG3' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER 177.45 81.74 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.946 0.403 . . . . 0.0 111.482 176.018 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.465 HG13 ' CA ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -163.66 124.25 1.43 Allowed Pre-proline 0 C--N 1.322 -0.598 0 O-C-N 121.364 -0.835 . . . . 0.0 111.009 175.663 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.28 153.19 54.95 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.499 2.8 . . . . 0.0 112.787 177.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -54.79 -44.18 73.52 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 111.776 0.288 . . . . 0.0 111.776 -176.781 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.79 -44.1 97.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.728 0.299 . . . . 0.0 111.665 -177.596 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -74.4 -27.14 60.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.763 0.316 . . . . 0.0 110.487 177.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 27.6 t -68.28 -38.79 82.04 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.519 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -55.2 -34.35 63.83 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.923 175.661 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -65.2 -34.89 79.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.946 0.403 . . . . 0.0 110.694 -178.086 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.518 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 35.3 ttp -90.51 -47.53 7.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -177.323 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.3 m -83.57 -14.4 52.21 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.427 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.566 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.2 p -58.15 -44.43 99.25 Favored Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -178.14 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.566 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 92.8 Cg_exo -48.75 -47.63 20.37 Favored 'Trans proline' 0 C--N 1.362 1.248 0 C-N-CA 122.54 2.16 . . . . 0.0 114.088 179.834 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -71.23 -29.71 65.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 0.0 110.29 -178.088 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -79.35 -67.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.494 -177.414 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -154.42 116.79 4.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.662 177.264 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 10.7 t . . . . . 0 C--N 1.323 -0.544 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.762 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.483 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 70.9 m -140.67 58.2 9.5 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.248 -177.434 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.483 ' HD3' ' N ' ' A' ' 2' ' ' SER . 23.9 Cg_exo -62.74 -56.35 0.64 Allowed 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.542 2.162 . . . . 0.0 113.574 -176.385 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.71 -42.98 90.47 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 -174.302 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.23 -35.35 80.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.73 0.3 . . . . 0.0 110.708 -179.011 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.49 98.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.987 175.434 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -64.29 -42.8 96.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.06 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -61.89 -40.82 96.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.489 177.611 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.86 -50.48 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.431 -179.168 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -70.48 -29.89 66.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.546 -179.381 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.4 tt0 -67.47 -52.4 39.71 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.358 177.756 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.536 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -80.26 -26.91 38.75 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -171.995 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.468 ' O ' HG13 ' A' ' 18' ' ' VAL . 23.9 p -56.47 -50.47 71.65 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.006 0.431 . . . . 0.0 110.435 -177.642 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.41 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.6 t-20 -75.91 -27.58 57.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -178.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 11' ' ' GLU . 54.9 t -69.06 -40.4 80.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.52 0.2 . . . . 0.0 110.761 178.851 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.0 m120 -70.41 -75.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.686 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 84.1 tttt 175.25 83.71 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.839 170.798 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.48 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -152.7 143.14 15.42 Favored Pre-proline 0 C--O 1.237 0.425 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 173.777 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.7 Cg_exo -66.58 152.91 79.74 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.891 2.394 . . . . 0.0 111.944 172.824 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' CYS . 69.7 t80 -55.04 -40.83 70.68 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -177.573 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.62 -38.26 84.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.847 0.355 . . . . 0.0 110.677 179.319 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.641 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 35.5 tt0 -74.0 -28.47 61.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.366 176.098 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 20' ' ' PHE . 73.7 m -59.19 -48.67 80.76 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 169.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -57.49 -43.04 83.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.823 -179.237 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 2.4 pt20 -63.82 -30.56 71.63 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.64 0.257 . . . . 0.0 110.94 -174.354 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.8 ttp -90.19 -45.86 8.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.485 -179.665 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -79.93 -18.55 50.21 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.91 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.706 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 25.6 p -64.26 -49.99 69.96 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-O 118.55 -0.738 . . . . 0.0 112.859 -177.854 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.706 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.4 Cg_exo -62.0 -15.04 40.88 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 122.141 1.894 . . . . 0.0 112.588 176.791 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -81.29 -59.67 2.55 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.462 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 36.2 tt0 -63.72 -51.8 63.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.77 -175.771 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 31' ' ' GLU . 12.6 mmm180 -134.02 -176.64 4.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.624 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.191 177.919 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.463 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 3.4 t -158.89 58.32 1.25 Allowed Pre-proline 0 CA--C 1.537 0.475 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.899 178.052 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' A' ' 2' ' ' SER . 31.5 Cg_exo -59.37 -39.33 78.0 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.577 2.185 . . . . 0.0 113.497 -177.267 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -70.12 -46.69 64.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -175.84 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -67.25 -31.53 71.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 178.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.95 94.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.044 177.443 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.29 -36.23 83.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.191 0.519 . . . . 0.0 109.713 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -67.42 -41.01 85.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.454 176.221 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.26 -50.02 71.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.543 -179.925 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -65.4 -21.27 66.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.826 0.346 . . . . 0.0 111.465 -179.575 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.2 tp10 -78.66 -61.23 2.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.002 0.429 . . . . 0.0 110.115 177.489 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.518 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -69.43 -23.68 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.36 -172.947 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 29.2 p -55.76 -54.15 47.93 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.532 -177.745 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.405 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 3.0 t-20 -74.33 -28.95 61.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.909 179.35 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' GLU . 76.0 t -66.65 -38.51 81.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.582 0.23 . . . . 0.0 110.469 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -69.21 -75.07 0.12 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 176.648 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.3 pttt 175.45 84.15 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.872 0.732 . . . . 0.0 110.606 166.074 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.3 m -148.75 149.61 31.09 Favored Pre-proline 0 C--O 1.233 0.198 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 172.505 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.429 ' O ' HG23 ' A' ' 18' ' ' VAL . 16.8 Cg_exo -69.23 154.29 70.05 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.892 2.395 . . . . 0.0 111.237 169.101 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -60.14 -37.0 78.77 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.442 0.163 . . . . 0.0 111.294 -178.175 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -59.49 -33.15 70.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.426 177.137 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -73.58 -38.35 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.232 174.861 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.9 m -55.76 -42.01 74.83 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.143 0.497 . . . . 0.0 109.699 173.726 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.29 -23.85 67.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.979 -179.54 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -85.06 -29.96 24.49 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.128 -178.237 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.3 ttp -91.3 -48.76 6.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.808 0.337 . . . . 0.0 111.828 179.258 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 32.6 m -77.06 -36.06 56.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -170.878 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.503 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 48.9 m -60.9 -50.06 86.53 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -177.595 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 74.1 Cg_exo -54.37 -23.35 30.4 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.431 2.088 . . . . 0.0 113.415 176.187 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 10.7 tp -70.31 -53.92 14.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.266 0.555 . . . . 0.0 110.626 176.627 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.95 -51.17 9.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.614 -174.89 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -130.73 112.04 12.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.596 -171.58 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.323 -0.559 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.739 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.691 0.281 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t -159.11 80.22 2.76 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.232 -179.65 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.42 -13.41 32.8 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.237 1.958 . . . . 0.0 112.381 176.874 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -82.82 -52.44 6.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.522 -178.121 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -66.6 -26.54 67.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.107 0.48 . . . . 0.0 110.197 179.356 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.5 80.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.302 175.119 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -63.18 -39.8 95.7 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.254 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.04 -43.43 95.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.219 177.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.9 -52.58 63.58 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.966 -178.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.545 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 83.9 m-85 -74.66 -38.57 62.42 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.465 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -64.29 -36.02 82.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 -175.785 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -80.43 -17.36 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.364 -178.302 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 85.5 m -51.86 -54.59 27.38 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.862 0.363 . . . . 0.0 111.242 -179.53 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -75.64 -26.66 57.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.908 0.385 . . . . 0.0 110.364 -177.291 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.19 -43.94 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.303 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.6 m120 -78.6 -77.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.183 -178.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 86.1 tttt 173.18 84.32 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.198 0.599 . . . . 0.0 109.646 169.668 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 p -163.49 125.23 1.55 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 121.78 -0.575 . . . . 0.0 110.89 175.716 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.94 143.79 90.93 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.953 2.435 . . . . 0.0 111.622 175.723 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -56.3 -37.61 70.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.527 -175.541 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -65.48 -47.45 76.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.662 0.268 . . . . 0.0 111.204 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 38.0 tt0 -69.49 -33.15 72.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.871 0.367 . . . . 0.0 110.529 177.534 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.47 -29.52 64.93 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.162 179.648 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -54.82 -35.0 63.46 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.175 174.469 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -67.25 -25.27 66.0 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.704 0.288 . . . . 0.0 110.431 -176.732 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.0 ttp -90.68 -47.4 7.68 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.5 -179.851 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.6 m -80.12 -10.92 59.79 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -175.811 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.674 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.3 p -59.92 -51.32 81.54 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -177.66 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.674 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 41.6 Cg_exo -61.17 -12.76 24.63 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.998 1.799 . . . . 0.0 112.66 178.194 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tt -90.28 -61.44 1.68 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.48 179.213 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -78.45 -32.49 48.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.223 -173.05 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.48 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 3.3 mmp_? -107.64 123.0 47.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.001 0.429 . . . . 0.0 110.416 -174.365 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.896 -179.798 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.63 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 18.6 t -174.04 82.74 0.36 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.034 -177.295 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.73 -25.59 76.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 121.705 1.603 . . . . 0.0 112.052 176.745 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -66.77 -41.38 87.82 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.496 -178.921 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.63 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.8 pt20 -64.03 -31.75 73.05 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.132 0.492 . . . . 0.0 110.451 -178.954 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.99 -41.45 67.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.274 175.834 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -62.84 -35.85 81.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.124 178.616 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.641 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 74.3 t80 -65.76 -39.98 91.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.47 176.54 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.4 t -62.62 -46.55 87.76 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.739 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 42.1 m-85 -69.32 -27.42 65.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.036 179.743 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 9.0 pt-20 -77.41 -43.64 31.93 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.581 -179.017 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.559 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -81.29 -26.41 35.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -176.626 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -56.22 -53.05 61.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.525 0.203 . . . . 0.0 111.407 -173.683 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -71.71 -29.13 64.22 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.397 178.785 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 11' ' ' GLU . 73.1 t -66.71 -39.69 84.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.44 178.817 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 15.1 m120 -67.83 -76.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.03 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.575 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 175.92 84.09 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 O-C-N 123.715 0.635 . . . . 0.0 110.294 169.728 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 m -148.79 140.58 14.48 Favored Pre-proline 0 C--O 1.235 0.317 0 O-C-N 121.085 -1.009 . . . . 0.0 110.023 175.352 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HB2' ' OD2' ' A' ' 21' ' ' ASP . 21.2 Cg_exo -66.64 154.86 72.94 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.869 2.38 . . . . 0.0 110.974 169.416 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -53.14 -43.39 66.92 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.197 0.453 . . . . 0.0 111.569 -175.717 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' OD2' ' HB2' ' A' ' 19' ' ' PRO . 5.6 p-10 -57.91 -40.0 79.3 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.356 -179.258 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -66.61 -39.94 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.438 177.272 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 28.9 t -62.93 -40.4 97.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.205 0.526 . . . . 0.0 109.684 178.154 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -64.03 -31.54 72.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.76 179.084 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -78.31 -27.34 47.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.918 0.39 . . . . 0.0 111.169 -175.481 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 40.4 ttp -90.59 -49.55 6.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.747 0.308 . . . . 0.0 111.608 178.78 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.4 m -86.17 -25.3 25.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -170.353 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.517 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 31.2 t -67.9 -51.21 29.59 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 119.803 -0.759 . . . . 0.0 111.504 -179.693 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 62.8 Cg_exo -57.65 -16.86 26.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 121.972 1.782 . . . . 0.0 112.863 175.753 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.34 -56.43 6.73 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.756 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -80.81 -56.42 4.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.778 -176.762 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -134.4 92.69 2.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.433 -171.256 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.31 178.498 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 120.63 0.252 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -165.22 68.84 1.3 Allowed Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -178.699 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.48 -41.91 73.25 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.765 2.31 . . . . 0.0 113.971 -175.206 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.1 -43.64 64.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.814 0.34 . . . . 0.0 111.045 -175.261 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -67.0 -33.34 75.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.092 0.473 . . . . 0.0 110.236 179.465 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.14 95.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.766 176.521 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -65.55 -34.03 77.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.962 179.659 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -67.09 -43.06 83.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.171 175.846 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -59.76 -51.79 68.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 -179.1 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.536 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 53.5 m-85 -70.0 -24.65 63.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.865 -178.036 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 15' ' ' VAL . 34.9 tt0 -78.39 -49.51 13.4 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.004 179.817 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.486 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -81.46 -23.14 37.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -172.763 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.434 ' O ' HG13 ' A' ' 18' ' ' VAL . 29.7 p -56.05 -53.03 61.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.645 0.26 . . . . 0.0 111.154 -175.668 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -72.62 -28.82 63.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.553 0.216 . . . . 0.0 111.107 178.898 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 11' ' ' GLU . 72.3 t -65.8 -41.57 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.452 178.325 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -65.71 -75.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.485 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tttp 173.67 85.53 0.0 OUTLIER 'General case' 0 C--O 1.23 0.041 0 O-C-N 123.827 0.705 . . . . 0.0 110.082 165.912 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.0 OUTLIER -145.75 143.28 19.33 Favored Pre-proline 0 C--O 1.236 0.367 0 CA-C-N 118.424 0.556 . . . . 0.0 109.605 174.118 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.38 153.12 79.67 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.837 2.358 . . . . 0.0 111.468 171.119 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -55.7 -44.01 76.99 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.093 0.406 . . . . 0.0 111.188 -176.975 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -59.44 -35.64 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.902 -179.542 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -71.78 -39.71 69.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.363 175.367 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.536 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 34.7 t -59.52 -42.19 91.7 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.733 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -58.68 -36.52 74.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.628 177.802 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -74.04 -31.61 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -173.562 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 ttp -82.58 -45.39 14.66 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.179 179.57 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 24.0 m -81.65 -17.78 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -172.873 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.679 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.4 p -61.09 -50.39 84.59 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.31 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.679 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 52.2 Cg_exo -60.22 -16.68 41.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.133 1.888 . . . . 0.0 112.915 177.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 tp -85.96 -55.63 3.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.665 178.773 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE1' ' HD2' ' A' ' 32' ' ' ARG . 2.7 tm-20 -72.91 -36.44 67.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.628 -175.716 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HD2' ' OE1' ' A' ' 31' ' ' GLU . 10.2 mmm180 -109.01 67.5 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.989 0.423 . . . . 0.0 110.222 -179.54 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.5 p . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.895 178.215 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 121.003 0.43 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -161.34 80.48 2.08 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.129 -177.525 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.09 -20.24 44.98 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 121.842 1.694 . . . . 0.0 111.364 174.56 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.25 -42.18 98.18 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.966 177.035 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -66.13 -45.83 79.67 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.383 179.722 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.77 89.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.325 177.92 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -64.12 -40.59 96.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.794 179.412 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -67.81 -40.68 83.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 110.374 179.432 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.8 t -58.77 -56.2 25.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.541 -178.381 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -70.57 -24.53 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 111.297 -177.725 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 15' ' ' VAL . 13.6 tp10 -65.66 -62.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.114 0.483 . . . . 0.0 110.074 176.642 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.501 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -74.68 -24.99 58.87 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -170.972 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -56.98 -58.02 9.99 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.107 -174.123 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.49 HD22 ' H ' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -71.89 -28.22 63.36 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.455 178.829 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 11' ' ' GLU . 79.4 t -65.65 -37.82 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.394 0.14 . . . . 0.0 110.663 177.963 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -64.66 -74.27 0.11 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.332 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 19.4 pttp 175.46 84.49 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.913 0.758 . . . . 0.0 110.133 165.393 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.3 m -148.27 145.16 19.83 Favored Pre-proline 0 C--O 1.235 0.339 0 O-C-N 121.794 -0.566 . . . . 0.0 109.626 176.07 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.7 Cg_exo -66.73 154.28 75.02 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.754 2.302 . . . . 0.0 110.946 168.668 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -57.08 -40.05 76.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.012 0.369 . . . . 0.0 111.171 -177.076 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.4 p30 -57.41 -45.68 84.33 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.525 178.291 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -60.31 -40.36 90.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.977 0.418 . . . . 0.0 110.512 175.992 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.0 t -62.26 -45.7 92.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.781 178.963 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -63.86 -35.29 80.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.951 178.818 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 88.8 mt-30 -64.38 -40.27 95.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.806 0.336 . . . . 0.0 110.647 -175.588 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 59.9 mtm -88.21 -33.67 18.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.501 -179.704 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 t -87.29 -13.22 44.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -173.132 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.579 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 4.0 p -58.4 -47.83 98.08 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.992 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.579 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 71.6 Cg_exo -54.89 -18.25 16.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.923 1.749 . . . . 0.0 113.223 176.176 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -90.49 -65.02 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.42 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' HG2' ' A' ' 32' ' ' ARG . 33.5 tt0 -80.46 -58.87 2.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.995 -172.531 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.556 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -134.62 98.33 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 -175.087 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.566 179.811 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.481 ' OG ' ' HB2' ' A' ' 5' ' ' GLN . 5.9 t -156.54 62.74 2.99 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.127 -178.245 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -53.99 -45.93 37.39 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.889 2.393 . . . . 0.0 113.5 -176.61 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -66.75 -47.54 71.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.948 0.404 . . . . 0.0 111.116 -176.519 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.481 ' HB2' ' OG ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -67.68 -31.23 71.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.81 -179.304 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.51 96.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 175.551 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -64.6 -39.55 93.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.989 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -65.47 -40.37 93.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.315 177.004 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.8 t -61.2 -51.78 67.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.309 -179.051 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.521 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 52.4 m-85 -69.68 -24.43 63.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.887 -178.196 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 11.9 tp10 -76.68 -59.14 2.9 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.946 0.403 . . . . 0.0 110.337 -179.553 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.6 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -76.52 -18.69 58.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -171.58 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.466 ' O ' HG13 ' A' ' 18' ' ' VAL . 32.1 p -57.82 -57.99 10.34 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.664 0.269 . . . . 0.0 110.611 -177.353 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.611 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -76.37 -27.07 56.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.476 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.611 ' N ' HD22 ' A' ' 14' ' ' ASN . 79.5 t -66.12 -40.07 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.864 0.364 . . . . 0.0 110.054 177.308 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.475 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 50.2 t-20 -71.5 -73.48 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.708 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 66.9 tttp 175.43 86.04 0.0 OUTLIER 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.662 0.601 . . . . 0.0 110.528 171.052 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.1 m -149.81 144.6 17.88 Favored Pre-proline 0 C--O 1.235 0.304 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 172.266 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 18' ' ' VAL . 21.8 Cg_exo -64.71 152.26 82.65 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.344 2.029 . . . . 0.0 111.175 170.65 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -54.55 -41.65 70.02 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 117.678 0.217 . . . . 0.0 110.864 -178.632 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -61.18 -38.51 86.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.798 -179.826 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -66.89 -39.92 87.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.89 0.376 . . . . 0.0 110.217 176.752 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.521 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 17.2 t -61.87 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.072 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -66.58 -28.32 68.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.483 177.133 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.615 HE21 ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.27 -36.48 66.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 -176.976 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 57.2 mtm -92.23 -50.3 5.74 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 179.864 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.9 m -77.64 -26.58 50.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -170.893 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.483 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 10.3 t -68.19 -48.11 37.77 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.78 -178.113 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 58.5 Cg_exo -58.89 -11.07 11.14 Favored 'Trans proline' 0 C--N 1.362 1.244 0 C-N-CA 122.374 2.049 . . . . 0.0 113.06 172.972 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -87.79 -56.53 3.3 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.08 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -73.74 -44.46 56.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.595 -173.716 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.456 ' HA ' ' HE ' ' A' ' 32' ' ' ARG . 3.1 mmp_? -119.81 86.28 2.53 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.102 0.477 . . . . 0.0 111.103 -172.552 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.842 173.783 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.495 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 11.2 t -173.08 74.37 0.41 Allowed Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.275 -177.829 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -55.37 -26.05 51.02 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.464 2.109 . . . . 0.0 113.104 178.912 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -70.58 -36.47 73.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.336 -177.112 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 2' ' ' SER . 11.6 pt20 -66.63 -34.45 77.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.264 0.554 . . . . 0.0 110.134 -179.362 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.56 -43.03 64.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.284 176.857 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.5 -37.4 87.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.128 179.29 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -64.24 -39.94 95.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.13 177.281 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.3 t -64.07 -51.48 63.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.228 -179.583 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.507 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 57.2 m-85 -67.9 -23.33 65.09 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.708 0.289 . . . . 0.0 111.571 -179.149 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 15' ' ' VAL . 9.7 tp10 -75.94 -62.53 1.57 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.197 0.522 . . . . 0.0 110.222 178.14 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.514 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -73.8 -19.14 60.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.514 -170.626 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 30.4 p -56.28 -59.24 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.742 -177.148 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.696 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -74.72 -27.1 60.23 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.416 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.696 ' N ' HD22 ' A' ' 14' ' ' ASN . 75.2 t -65.56 -40.46 88.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.521 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 14.2 m120 -67.1 -74.19 0.12 Allowed 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 176.673 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 15.2 mttp 174.63 86.53 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 O-C-N 124.002 0.814 . . . . 0.0 110.59 166.091 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -144.87 144.81 25.41 Favored Pre-proline 0 C--O 1.234 0.258 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 172.234 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.24 153.61 73.07 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.464 2.109 . . . . 0.0 110.978 170.605 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -57.29 -41.8 80.48 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.876 -177.603 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.6 p30 -58.96 -38.49 79.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.208 178.883 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -66.23 -40.47 90.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.818 0.342 . . . . 0.0 110.572 175.787 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 18.2 t -61.08 -40.62 94.37 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.001 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -66.24 -26.06 67.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.005 177.392 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 11.1 mm100 -80.54 -29.69 37.15 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.559 -0.713 . . . . 0.0 110.816 -178.251 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.5 ttp -91.61 -53.04 4.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.347 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 33.8 m -82.95 -28.18 30.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.022 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.501 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 19.3 m -67.64 -49.13 41.26 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -177.615 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' A' ' 28' ' ' SER . 78.4 Cg_exo -56.67 -23.55 49.81 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 121.749 1.633 . . . . 0.0 112.409 173.416 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 1.8 tt -72.18 -59.69 2.61 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 176.184 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -65.52 -51.45 59.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.851 -174.738 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -125.35 101.37 6.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.055 0.455 . . . . 0.0 110.686 -172.985 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.13 179.102 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.731 0.301 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 9.4 t -175.51 76.62 0.3 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.009 -177.783 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.6 -27.61 61.15 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.223 1.949 . . . . 0.0 112.429 176.388 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.588 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.0 OUTLIER -63.74 -44.75 92.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.41 -179.804 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.5 pt20 -66.96 -32.55 73.87 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.641 -177.345 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.88 93.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.998 174.357 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -64.64 -34.77 79.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.242 178.197 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -62.95 -43.47 98.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.2 177.557 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.1 t -60.54 -46.55 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.048 178.854 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.52 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 47.3 m-85 -73.34 -28.45 62.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.284 -178.852 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.5 tt0 -72.88 -49.67 28.45 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.486 179.434 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.55 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -79.91 -19.24 48.58 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -171.416 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 24.6 p -62.69 -55.96 22.02 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.615 -177.066 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.668 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -73.06 -26.04 61.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.639 179.506 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.668 ' N ' HD22 ' A' ' 14' ' ' ASN . 42.9 t -61.82 -44.78 99.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 176.705 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -70.0 -76.92 0.09 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.704 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 pttm 174.64 86.61 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.241 0.616 . . . . 0.0 110.472 168.884 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 13' ' ' CYS . 1.1 m -140.87 143.47 31.91 Favored Pre-proline 0 C--N 1.327 -0.375 0 O-C-N 121.519 -0.738 . . . . 0.0 109.463 173.679 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.55 154.19 74.86 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.527 2.152 . . . . 0.0 111.39 172.031 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -53.19 -41.22 65.04 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.512 0.196 . . . . 0.0 111.249 -178.668 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -57.07 -48.9 77.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.204 179.736 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -61.82 -41.34 97.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.732 0.301 . . . . 0.0 110.442 177.673 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 15.7 t -62.24 -42.98 99.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.143 0.497 . . . . 0.0 109.859 179.457 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -64.83 -37.86 89.03 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.273 178.377 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -74.34 -31.58 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.659 0.266 . . . . 0.0 111.447 -174.086 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.8 ttp -81.1 -45.5 16.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.205 179.445 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 16.8 m -86.36 -11.73 51.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -173.898 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.661 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 5.0 p -60.14 -50.43 86.16 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.523 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.661 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 67.4 Cg_exo -56.07 -25.89 56.76 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 121.897 1.732 . . . . 0.0 112.492 178.254 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 tt -78.07 -58.55 3.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.267 179.187 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -64.07 -42.84 96.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.256 -175.159 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.72 -86.58 0.07 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.453 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -178.194 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.614 0.245 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m -159.9 51.08 0.38 Allowed Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.486 177.562 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.36 -46.66 1.92 Allowed 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 121.988 1.792 . . . . 0.0 113.261 -173.348 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -65.62 -40.27 92.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.265 -175.642 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -63.96 -41.07 97.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.85 0.357 . . . . 0.0 110.626 179.401 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.12 -45.74 83.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.513 177.988 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -67.34 -38.86 85.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.019 -179.056 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.01 -42.11 99.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.25 178.489 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.3 t -60.28 -56.31 23.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.808 178.241 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -68.64 -18.9 64.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.711 -175.46 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -79.54 -56.06 4.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.65 173.936 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.495 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -81.62 -18.65 43.95 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -171.384 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -53.88 -53.69 49.13 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.591 0.234 . . . . 0.0 111.147 -175.955 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -72.26 -28.94 63.46 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.158 178.479 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.2 t -66.55 -37.35 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.75 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.5 m120 -70.35 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.152 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 22.8 ttpp 175.77 83.7 0.0 OUTLIER 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.646 0.591 . . . . 0.0 110.355 166.943 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.609 ' HB ' ' OE1' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -154.94 142.45 13.92 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 174.085 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.499 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.0 Cg_exo -66.61 153.62 77.33 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.715 2.277 . . . . 0.0 111.119 168.744 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.529 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 49.8 t80 -56.99 -38.2 72.72 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -177.092 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -58.94 -37.39 76.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.853 0.359 . . . . 0.0 110.412 177.251 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.609 ' OE1' ' HB ' ' A' ' 18' ' ' VAL . 64.8 tt0 -72.75 -33.93 66.69 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.319 176.306 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' A' ' 20' ' ' PHE . 56.5 m -55.72 -45.2 77.99 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.756 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -64.77 -40.79 95.85 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.999 179.423 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -64.3 -35.5 81.05 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.873 -174.111 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.2 ttp -83.76 -42.94 15.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.918 -177.919 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 97.0 m -103.97 6.89 36.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -172.852 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.656 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 3.1 p -56.67 -47.42 99.03 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.854 171.979 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.656 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 47.8 Cg_exo -62.44 -12.03 25.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.16 1.907 . . . . 0.0 112.848 174.789 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -89.76 -59.87 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.235 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -80.4 -40.27 26.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.018 -174.841 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 32' ' ' ARG . 3.4 mmp_? -95.81 160.98 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.907 0.384 . . . . 0.0 110.35 -176.919 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.531 -179.718 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -168.71 80.53 0.75 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.228 -176.952 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -58.49 -18.08 37.5 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.343 2.028 . . . . 0.0 112.86 178.268 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -70.38 -33.33 71.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.828 179.209 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.97 -41.46 97.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.205 0.526 . . . . 0.0 110.273 178.175 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.62 87.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.231 176.891 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -63.07 -35.48 80.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.458 179.168 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -62.96 -43.32 99.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.401 176.124 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.27 -49.21 74.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 -179.039 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.59 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 55.7 m-85 -67.46 -27.71 67.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.55 179.79 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.7 tt0 -71.02 -55.27 8.65 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.124 176.941 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.545 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -70.64 -27.59 64.16 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -171.562 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.9 p -63.49 -50.37 69.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.391 . . . . 0.0 110.041 -179.229 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.22 -29.57 62.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.893 177.964 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 11' ' ' GLU . 44.9 t -63.36 -40.91 90.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.33 176.982 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.418 ' N ' HD22 ' A' ' 16' ' ' ASN . 0.9 OUTLIER -74.6 -77.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.818 179.002 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 pttm 173.95 86.23 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.626 0.579 . . . . 0.0 111.043 170.614 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -145.21 144.58 23.88 Favored Pre-proline 0 CA--C 1.534 0.356 0 O-C-N 121.654 -0.654 . . . . 0.0 109.745 174.072 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.99 154.21 75.38 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.852 2.368 . . . . 0.0 111.821 172.315 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -55.41 -44.67 76.41 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.923 0.329 . . . . 0.0 111.584 -175.842 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -57.75 -41.46 81.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.642 0.258 . . . . 0.0 111.148 -178.386 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.02 -38.28 79.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 176.505 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 21.9 t -61.85 -42.58 99.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.073 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -59.25 -39.21 82.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.042 177.003 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -62.53 -40.65 97.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.925 0.393 . . . . 0.0 110.749 -177.117 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.444 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 39.2 ttp -82.13 -44.17 16.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.681 -176.76 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.0 m -80.9 -21.22 40.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -173.656 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.668 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 16.5 p -60.23 -47.87 95.59 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.678 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.668 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 66.0 Cg_exo -57.11 -20.35 37.41 Favored 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 122.392 2.061 . . . . 0.0 113.182 178.157 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.65 -59.84 2.59 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.233 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -67.59 -35.02 78.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.245 -174.415 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -139.94 143.46 36.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.866 0.365 . . . . 0.0 110.385 -176.079 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.321 -0.67 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.049 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.872 0.368 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 32.5 t -169.59 84.81 0.61 Allowed Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.565 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.71 -29.06 49.88 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.399 2.066 . . . . 0.0 113.268 -178.181 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -68.35 -49.91 56.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.094 -179.665 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 2' ' ' SER . 2.4 pt20 -64.92 -34.75 79.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 110.395 -177.598 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.24 84.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.249 176.844 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -62.39 -38.56 90.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.701 179.214 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -69.55 -38.17 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.707 177.583 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -57.67 -47.86 81.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 178.082 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.496 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 53.0 m-85 -68.9 -20.17 64.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.461 179.775 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 15' ' ' VAL . 39.7 tt0 -81.68 -51.43 8.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.766 176.496 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.482 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -80.11 -17.78 51.65 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -171.386 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 p -57.48 -55.85 29.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.618 0.247 . . . . 0.0 110.976 -175.76 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.722 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -71.54 -27.46 63.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.493 0.187 . . . . 0.0 111.179 177.152 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.722 ' N ' HD22 ' A' ' 14' ' ' ASN . 42.7 t -62.57 -42.65 96.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.39 177.975 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 13.9 m120 -69.37 -73.77 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.807 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 85.4 tttt 175.1 85.43 0.0 OUTLIER 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.669 0.605 . . . . 0.0 110.265 168.609 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.1 m -149.67 146.77 21.25 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-N 118.167 0.439 . . . . 0.0 109.879 174.779 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.51 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 13.5 Cg_exo -71.31 154.65 61.24 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.75 2.3 . . . . 0.0 111.135 168.254 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -52.52 -41.46 63.49 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.196 0.453 . . . . 0.0 111.857 -174.74 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.51 ' OD1' ' HB2' ' A' ' 19' ' ' PRO . 8.6 p-10 -58.78 -41.92 87.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.157 -178.673 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -67.34 -36.89 82.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.369 . . . . 0.0 110.09 176.108 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 38.9 t -58.46 -43.79 89.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.771 177.933 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -62.05 -42.88 99.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.558 177.212 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -74.98 -21.89 58.87 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.671 -171.283 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.5 ttp -90.39 -45.76 8.8 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.241 176.691 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.0 m -82.82 -26.13 32.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.66 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.517 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 23.2 t -62.62 -51.46 72.24 Favored Pre-proline 0 N--CA 1.471 0.608 0 CA-C-O 119.038 -0.506 . . . . 0.0 112.088 -177.773 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 28' ' ' SER . 89.3 Cg_exo -53.58 -32.76 65.51 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 122.083 1.855 . . . . 0.0 112.816 176.277 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.25 -51.02 61.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.775 176.367 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -75.88 -48.07 22.86 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.013 -174.129 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.599 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.0 mmp_? -79.73 97.33 6.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.991 0.424 . . . . 0.0 110.511 -177.658 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.891 179.386 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.861 0.362 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -169.6 78.52 0.67 Allowed Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.741 179.977 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.77 -27.58 27.37 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.537 2.158 . . . . 0.0 112.487 175.943 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -58.94 -35.94 73.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.289 177.553 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.19 -41.08 74.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.801 -179.761 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.02 94.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.126 176.677 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.18 -32.22 73.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.124 178.597 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -62.91 -43.81 97.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.389 178.284 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 t -60.06 -52.01 67.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.408 177.991 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.581 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 69.1 m-85 -68.67 -29.11 67.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.694 -176.254 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 15' ' ' VAL . 35.7 tt0 -69.87 -52.0 28.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.764 0.316 . . . . 0.0 110.416 176.108 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.524 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.1 OUTLIER -81.16 -21.56 39.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -170.629 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -60.74 -50.1 74.85 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.931 -175.286 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -72.27 -29.03 63.51 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.918 178.194 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 11' ' ' GLU . 68.9 t -66.29 -36.32 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.378 179.206 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -73.5 -75.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 175.353 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 177.74 84.35 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.556 0.535 . . . . 0.0 111.017 169.33 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -149.09 141.66 15.33 Favored Pre-proline 0 C--O 1.236 0.372 0 O-C-N 121.333 -0.854 . . . . 0.0 109.721 172.072 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -68.21 154.96 71.09 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.948 2.432 . . . . 0.0 111.302 168.739 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -53.22 -44.51 68.11 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 117.987 0.358 . . . . 0.0 111.3 -177.847 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 3.8 p30 -56.98 -41.32 78.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.954 -179.659 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -66.18 -40.54 90.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.531 177.15 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.581 ' SG ' ' HA ' ' A' ' 10' ' ' TYR . 9.0 t -63.07 -40.05 96.53 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.819 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -64.06 -38.57 91.57 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.874 176.402 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 15.9 mm100 -71.32 -22.04 61.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.049 -173.031 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.0 ttp -90.81 -52.56 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.975 179.365 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.7 m -103.21 6.32 38.19 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -170.879 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.62 ' OG ' ' HD3' ' A' ' 29' ' ' PRO . 29.9 p -59.28 -44.98 99.13 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 119.627 -0.829 . . . . 0.0 111.592 172.687 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.62 ' HD3' ' OG ' ' A' ' 28' ' ' SER . 75.2 Cg_exo -55.38 -22.62 34.62 Favored 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 121.795 1.664 . . . . 0.0 112.525 175.265 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.3 -61.2 2.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.122 177.722 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -79.82 -71.45 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.175 -173.21 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -146.95 117.91 7.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.144 0.497 . . . . 0.0 110.502 -179.56 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.321 -0.67 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.741 . . . . . . . . 0 0 . 1 stop_ save_