data_1orl_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1orl _Structure_validation_residue.Date_analyzed 2017-03-24 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 full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.3 pttt . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m -79.88 144.64 33.25 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.669 0.788 . . . . 0.0 109.343 172.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.4 m -144.59 122.28 11.86 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 124.458 1.103 . . . . 0.0 109.111 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.1 m -118.52 154.26 52.3 Favored Pre-proline 0 CA--C 1.533 0.3 0 C-N-CA 126.222 1.809 . . . . 0.0 110.832 -172.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -64.19 -38.76 34.13 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.961 3.107 . . . . 0.0 111.646 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -160.51 174.89 13.4 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.54 0.686 . . . . 0.0 111.117 -169.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.8 m -61.43 -35.43 77.53 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.547 1.539 . . . . 0.0 111.477 -177.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.0 m -64.98 -39.39 93.4 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.325 0.511 . . . . 0.0 110.236 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.28 -51.34 56.68 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -55.87 -47.33 77.55 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 117.079 0.439 . . . . 0.0 111.379 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -55.85 -51.61 66.93 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.372 0.669 . . . . 0.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.78 -47.37 88.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -52.07 -53.47 41.92 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.437 1.095 . . . . 0.0 111.037 177.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -60.68 -44.57 96.33 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.312 1.045 . . . . 0.0 111.503 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.7 m -61.19 -46.77 89.1 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.44 0.564 . . . . 0.0 110.559 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.1 t -61.72 -43.4 98.93 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.447 1.099 . . . . 0.0 111.271 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -61.02 -42.4 98.38 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.394 0.678 . . . . 0.0 110.888 175.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -63.11 -43.09 99.43 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.934 0.893 . . . . 0.0 110.505 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.61 -45.77 92.75 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.641 0.776 . . . . 0.0 110.869 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.85 29.49 0.81 Allowed Glycine 0 CA--C 1.528 0.853 0 C-N-CA 124.28 0.943 . . . . 0.0 112.859 171.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.09 151.27 31.45 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 173.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -61.12 151.35 31.37 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.506 0.723 . . . . 0.0 110.594 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -54.86 -57.13 12.85 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.78 -36.6 84.42 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 119.233 -0.413 . . . . 0.0 111.908 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -61.58 -50.55 72.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.307 0.503 . . . . 0.0 110.447 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.0 m -60.66 -40.21 91.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.276 1.03 . . . . 0.0 111.654 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.84 -55.74 26.74 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -53.71 -51.01 64.65 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.46 1.104 . . . . 0.0 111.599 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.0 tp -51.71 -47.39 63.98 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.428 1.491 . . . . 0.0 110.963 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.3 p -77.3 -26.34 52.19 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.322 0.649 . . . . 0.0 112.288 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.24 19.52 20.87 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.01 1.29 . . . . 0.0 112.096 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 29.9 m -97.97 165.78 11.75 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.888 1.675 . . . . 0.0 109.684 173.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -114.34 171.14 7.8 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 124.197 0.999 . . . . 0.0 110.198 165.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.6 mt -137.08 133.54 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 166.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.9 pt -142.95 152.12 17.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.111 0.964 . . . . 0.0 109.616 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.8 p -91.96 16.76 10.39 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.145 0.978 . . . . 0.0 111.737 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.14 -22.13 39.28 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.643 0.777 . . . . 0.0 111.758 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t 74.59 -35.28 0.29 Allowed 'General case' 0 C--N 1.345 0.376 0 C-N-CA 127.204 2.202 . . . . 0.0 112.589 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.7 m -102.27 129.55 48.72 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 125.41 1.484 . . . . 0.0 107.766 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.2 m -111.85 151.23 43.33 Favored Pre-proline 0 CA--C 1.532 0.258 0 C-N-CA 125.544 1.538 . . . . 0.0 109.039 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.9 159.99 51.29 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.056 2.504 . . . . 0.0 111.196 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.1 m -73.98 66.26 1.16 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.16 1.384 . . . . 0.0 110.34 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -155.4 -34.69 0.09 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 127.314 2.246 . . . . 0.0 109.364 -173.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -116.91 74.47 6.87 Favored Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 125.061 1.344 . . . . 0.0 108.635 174.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -77.6 -8.92 17.22 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.782 2.988 . . . . 0.0 114.429 -170.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? . . . . . 0 C--O 1.248 1.004 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 177.257 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.5 pttp . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m 60.49 98.04 0.03 OUTLIER 'General case' 0 C--N 1.342 0.279 0 C-N-CA 125.465 1.506 . . . . 0.0 112.751 172.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.0 m -132.13 132.62 43.42 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.641 0.777 . . . . 0.0 110.5 -172.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.3 m -114.88 156.54 44.94 Favored Pre-proline 0 CA--C 1.529 0.138 0 C-N-CA 125.033 1.333 . . . . 0.0 110.593 -177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -66.38 -45.1 5.64 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.663 2.242 . . . . 0.0 111.181 176.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -161.81 178.02 9.33 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.05 0.54 . . . . 0.0 111.151 -168.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 m -60.31 -36.7 78.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.457 1.503 . . . . 0.0 111.844 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -69.25 -38.16 78.31 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.98 -52.38 51.57 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 171.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -55.18 -48.09 74.3 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.051 0.54 . . . . 0.0 110.863 175.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -55.44 -52.64 62.94 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.275 0.63 . . . . 0.0 110.981 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.0 mt -57.99 -46.71 87.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 123.059 0.543 . . . . 0.0 109.976 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.17 -52.3 66.14 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.787 0.835 . . . . 0.0 111.398 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -61.04 -45.26 95.51 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.438 1.095 . . . . 0.0 111.41 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 92.5 m -60.44 -47.62 85.32 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.926 0.49 . . . . 0.0 110.495 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.5 t -60.02 -47.44 85.82 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.13 0.972 . . . . 0.0 111.063 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -59.91 -45.79 91.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.804 0.842 . . . . 0.0 111.118 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -63.51 -44.97 92.76 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.747 0.819 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.92 79.72 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.558 0.743 . . . . 0.0 110.673 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 143.5 -1.07 1.33 Allowed Glycine 0 CA--C 1.529 0.948 0 CA-C-O 119.004 -0.887 . . . . 0.0 113.636 170.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.55 141.25 43.87 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 118.732 1.266 . . . . 0.0 111.019 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.9 m -62.06 155.13 24.84 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.697 0.799 . . . . 0.0 111.07 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -52.82 -55.59 21.89 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 123.438 0.695 . . . . 0.0 112.319 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -66.96 -34.35 77.56 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.003 0.521 . . . . 0.0 112.134 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -61.96 -52.19 65.01 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.3 m -60.81 -36.36 78.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.114 0.966 . . . . 0.0 111.804 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.49 -52.24 64.32 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 124.077 0.951 . . . . 0.0 110.033 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -58.99 -52.4 65.94 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.93 0.892 . . . . 0.0 110.512 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 tp -54.92 -43.57 73.44 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.74 1.216 . . . . 0.0 111.656 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.8 p -78.1 -39.23 42.11 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.009 0.924 . . . . 0.0 111.53 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.7 -2.14 49.01 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 124.733 1.158 . . . . 0.0 111.605 -169.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.1 m -74.74 153.82 38.65 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 119.124 1.462 . . . . 0.0 110.511 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -101.97 115.86 31.44 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.285 1.434 . . . . 0.0 107.799 174.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.6 mm -111.6 104.77 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.7 pt -135.1 143.22 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.554 1.141 . . . . 0.0 108.478 172.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.0 p -93.02 30.55 1.59 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.595 1.158 . . . . 0.0 111.221 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -87.96 8.72 25.04 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.293 1.037 . . . . 0.0 111.931 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.5 t 50.33 31.83 5.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.347 1.459 . . . . 0.0 111.784 -171.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.0 m -151.36 165.03 35.33 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.869 1.668 . . . . 0.0 107.703 -173.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 85.1 m -144.88 153.67 54.22 Favored Pre-proline 0 CA--C 1.535 0.366 0 C-N-CA 125.033 1.333 . . . . 0.0 108.297 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -64.73 134.27 40.02 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 122.358 2.039 . . . . 0.0 108.357 164.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.7 t -75.61 68.45 2.22 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.891 0.877 . . . . 0.0 111.717 -172.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -146.83 19.12 1.28 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.874 1.269 . . . . 0.0 110.739 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -145.27 78.88 11.98 Favored Pre-proline 0 C--N 1.341 0.218 0 C-N-CA 124.152 0.981 . . . . 0.0 109.363 -170.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -89.06 40.52 0.51 Allowed 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 123.199 2.599 . . . . 0.0 112.608 -168.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.215 0 C-N-CA 124.626 1.17 . . . . 0.0 110.87 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 m -91.75 127.84 37.36 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.267 1.027 . . . . 0.0 109.112 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.3 m -139.76 125.37 19.3 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 123.957 0.903 . . . . 0.0 109.761 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.2 m -118.67 153.96 52.45 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 124.557 1.143 . . . . 0.0 111.96 -162.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.98 -36.83 12.09 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.579 2.852 . . . . 0.0 111.686 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -166.57 177.03 6.88 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.647 0.779 . . . . 0.0 110.517 -169.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.5 m -63.04 -37.47 87.33 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.086 1.354 . . . . 0.0 111.853 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.1 m -68.21 -38.25 81.74 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.221 0.464 . . . . 0.0 109.937 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.73 -53.09 44.13 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 171.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -52.68 -49.59 64.98 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 117.3 0.55 . . . . 0.0 111.478 174.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -56.49 -51.85 66.94 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.034 0.534 . . . . 0.0 111.138 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.2 mt -61.31 -45.29 98.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 123.185 0.594 . . . . 0.0 110.204 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -57.11 -53.05 62.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.689 0.796 . . . . 0.0 110.841 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -62.93 -38.86 92.69 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.081 0.952 . . . . 0.0 111.627 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 92.5 m -58.82 -50.69 73.04 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.979 0.512 . . . . 0.0 110.14 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.2 t -64.32 -38.92 92.74 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.191 0.996 . . . . 0.0 111.489 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -63.31 -44.01 96.19 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.604 0.762 . . . . 0.0 111.159 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -63.12 -48.78 77.08 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 123.455 0.702 . . . . 0.0 110.813 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.57 83.38 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.269 0.627 . . . . 0.0 110.292 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.56 60.43 0.54 Allowed Glycine 0 C--N 1.339 0.707 0 C-N-CA 124.557 1.075 . . . . 0.0 111.04 171.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.56 177.25 34.47 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 165.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -75.13 148.72 39.43 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 173.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -52.22 -54.64 28.52 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 123.793 0.837 . . . . 0.0 111.101 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.91 -39.85 95.13 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.151 0.98 . . . . 0.0 112.137 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -65.21 -47.63 76.19 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.682 0.793 . . . . 0.0 110.86 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.6 m -61.79 -39.31 91.28 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.078 0.951 . . . . 0.0 111.413 175.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.49 82.79 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.354 0.662 . . . . 0.0 110.394 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -58.23 -51.48 69.6 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.461 0.704 . . . . 0.0 111.133 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.5 tp -51.67 -50.14 60.99 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.966 0.907 . . . . 0.0 110.623 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.2 p -75.18 -34.11 61.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.739 0.815 . . . . 0.0 112.055 -172.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.5 -22.72 13.0 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.684 1.135 . . . . 0.0 111.213 -170.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.1 m -64.62 163.71 13.24 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.561 1.18 . . . . 0.0 112.619 -173.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -108.15 150.03 27.74 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 126.369 1.868 . . . . 0.0 109.554 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.0 mm -126.81 103.8 11.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 125.77 1.628 . . . . 0.0 107.149 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.2 pt -135.83 149.02 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 118.408 0.549 . . . . 0.0 110.858 171.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.3 p -100.94 38.39 1.56 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.505 1.522 . . . . 0.0 110.767 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.39 -3.87 58.76 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.496 0.718 . . . . 0.0 112.028 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t 54.45 28.17 9.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.027 1.331 . . . . 0.0 111.082 -165.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.8 m -160.1 158.45 30.33 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.106 1.762 . . . . 0.0 106.947 -173.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 69.8 m -141.93 151.57 59.78 Favored Pre-proline 0 CA--C 1.532 0.258 0 C-N-CA 124.015 0.926 . . . . 0.0 110.689 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.28 142.62 80.35 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 123.482 2.788 . . . . 0.0 111.509 174.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.4 m -56.71 -32.1 65.15 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.679 1.592 . . . . 0.0 112.813 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.67 -12.49 6.99 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.147 1.379 . . . . 0.0 113.128 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -120.04 77.29 23.62 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 124.877 1.271 . . . . 0.0 108.384 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -76.65 -19.81 14.23 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.702 2.935 . . . . 0.0 113.183 -170.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.127 -1.416 . . . . 0.0 110.385 -169.906 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.5 pttp . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t 70.03 128.23 0.03 OUTLIER 'General case' 0 C--N 1.343 0.292 0 C-N-CA 125.181 1.392 . . . . 0.0 109.145 -161.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.7 m -143.01 104.21 4.27 Favored 'General case' 0 CA--C 1.528 0.098 0 C-N-CA 122.895 0.478 . . . . 0.0 110.295 -163.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.1 m -107.88 154.47 41.01 Favored Pre-proline 0 CA--C 1.531 0.212 0 C-N-CA 124.734 1.214 . . . . 0.0 110.5 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -76.05 -36.0 2.17 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.086 2.524 . . . . 0.0 111.333 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -151.41 167.04 29.18 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.077 0.951 . . . . 0.0 110.666 -171.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 m -52.65 -38.45 60.42 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.885 1.674 . . . . 0.0 111.402 170.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 m -65.19 -38.98 92.18 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.01 0.524 . . . . 0.0 110.592 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.75 -48.49 85.98 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 173.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -56.34 -45.06 80.57 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 122.922 0.489 . . . . 0.0 111.003 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -57.34 -53.43 58.19 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.205 0.602 . . . . 0.0 111.022 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -59.76 -48.58 87.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.182 0.446 . . . . 0.0 109.834 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -53.95 -52.91 59.14 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.714 1.205 . . . . 0.0 111.442 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -63.01 -42.39 99.81 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.57 1.148 . . . . 0.0 111.681 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.8 m -61.79 -46.25 90.34 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.265 0.484 . . . . 0.0 110.44 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.9 t -63.38 -45.61 90.32 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.925 0.89 . . . . 0.0 111.4 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -56.28 -47.49 78.52 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.007 0.923 . . . . 0.0 110.533 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.05 -42.7 99.79 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.084 0.954 . . . . 0.0 111.042 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.73 85.38 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.208 0.603 . . . . 0.0 110.785 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 139.73 8.86 0.9 Allowed Glycine 0 CA--C 1.53 0.98 0 CA-C-O 119.117 -0.824 . . . . 0.0 113.432 171.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.28 147.78 39.75 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 118.759 1.279 . . . . 0.0 110.489 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.1 m -63.73 157.86 23.15 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.558 0.743 . . . . 0.0 110.848 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -54.15 -54.6 37.42 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 123.422 0.689 . . . . 0.0 110.852 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -57.28 -48.15 79.62 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.813 0.845 . . . . 0.0 111.341 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -60.71 -51.56 68.86 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.841 0.856 . . . . 0.0 111.155 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.5 m -62.09 -38.95 90.81 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.295 1.038 . . . . 0.0 111.675 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.7 92.94 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 122.576 0.35 . . . . 0.0 110.295 176.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -59.96 -48.63 80.9 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.472 0.709 . . . . 0.0 110.822 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.4 tp -55.92 -47.38 77.61 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.298 1.439 . . . . 0.0 111.03 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.8 p -74.71 -37.58 62.55 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.785 0.834 . . . . 0.0 111.897 -176.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.72 -9.41 23.7 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.242 1.401 . . . . 0.0 111.904 -171.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.3 m -70.68 165.95 21.84 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.546 1.173 . . . . 0.0 111.076 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -112.77 154.71 25.79 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.074 1.75 . . . . 0.0 109.397 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.4 mm -119.47 114.74 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 125.248 1.419 . . . . 0.0 107.963 171.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 pt -132.87 144.06 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.224 1.009 . . . . 0.0 108.444 167.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 m -99.42 30.1 3.7 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.43 1.092 . . . . 0.0 111.037 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.56 -0.73 57.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.165 0.986 . . . . 0.0 112.6 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t 55.25 36.83 27.88 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.908 1.283 . . . . 0.0 111.183 -170.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.5 m -151.84 169.41 22.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.246 1.418 . . . . 0.0 108.143 -174.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 69.1 m -139.86 149.34 58.73 Favored Pre-proline 0 CA--C 1.53 0.184 0 C-N-CA 125.056 1.342 . . . . 0.0 109.259 170.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.28 159.09 40.72 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.018 2.479 . . . . 0.0 110.523 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -73.88 71.88 1.54 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.548 1.139 . . . . 0.0 109.502 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -171.02 -42.19 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.978 1.711 . . . . 0.0 109.358 -174.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -114.94 78.24 5.29 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 125.485 1.514 . . . . 0.0 109.304 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.16 -23.9 17.58 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 123.275 2.65 . . . . 0.0 114.725 -167.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.52 -1.229 . . . . 0.0 108.45 -178.719 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.0 pttt . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 p 64.7 119.43 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.786 2.035 . . . . 0.0 111.6 -172.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.9 m -147.92 133.0 18.26 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 122.7 0.4 . . . . 0.0 110.878 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.1 m -111.8 158.42 36.69 Favored Pre-proline 0 CA--C 1.531 0.245 0 C-N-CA 126.003 1.721 . . . . 0.0 110.525 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.18 -36.48 36.48 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.973 2.449 . . . . 0.0 111.306 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -165.82 175.85 8.39 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.144 0.977 . . . . 0.0 110.166 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.3 m -56.32 -39.87 73.47 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.621 1.568 . . . . 0.0 111.663 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 m -65.07 -35.85 82.46 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.47 0.308 . . . . 0.0 110.364 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.55 -52.33 48.78 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 170.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -57.73 -45.15 86.18 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 117.422 0.611 . . . . 0.0 111.211 176.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -56.71 -52.47 64.83 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.862 0.465 . . . . 0.0 111.061 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.08 -45.8 95.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.209 0.604 . . . . 0.0 110.045 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -55.56 -55.76 28.25 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.891 0.876 . . . . 0.0 110.718 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -57.53 -48.74 78.48 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.964 0.906 . . . . 0.0 110.783 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.7 m -54.9 -40.5 69.86 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.307 0.503 . . . . 0.0 110.778 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.7 t -66.77 -35.92 81.2 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.77 0.828 . . . . 0.0 112.284 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -60.33 -50.89 71.82 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.632 0.651 . . . . 0.0 110.637 171.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -59.01 -39.93 83.37 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.384 0.674 . . . . 0.0 111.461 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.09 99.7 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.307 0.643 . . . . 0.0 110.773 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.09 49.52 0.77 Allowed Glycine 0 C--N 1.339 0.737 0 C-N-CA 124.341 0.972 . . . . 0.0 111.823 172.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.37 -162.13 28.49 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 166.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.5 p -98.2 159.04 15.2 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 162.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -53.48 -45.06 69.45 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.39 0.276 . . . . 0.0 111.245 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.2 -52.23 63.13 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.494 0.718 . . . . 0.0 111.086 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -57.84 -44.97 86.83 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.938 0.495 . . . . 0.0 110.999 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.3 m -61.14 -38.27 85.79 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.26 0.624 . . . . 0.0 111.713 175.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.75 -54.61 44.93 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.221 0.609 . . . . 0.0 110.185 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -54.83 -54.02 47.73 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.281 0.632 . . . . 0.0 111.214 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.3 tp -53.62 -47.45 70.23 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.998 1.319 . . . . 0.0 111.429 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.5 p -74.03 -34.5 64.13 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.71 0.804 . . . . 0.0 111.747 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.81 -7.75 53.48 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.677 1.132 . . . . 0.0 111.453 -170.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -72.53 160.05 32.93 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 118.515 1.157 . . . . 0.0 110.578 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -102.9 135.86 43.8 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.652 1.181 . . . . 0.0 108.52 171.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.5 mm -116.88 109.79 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 166.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.4 pt -135.32 144.0 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.534 1.134 . . . . 0.0 108.448 172.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.2 m -96.37 33.12 1.84 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.399 1.08 . . . . 0.0 110.97 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.44 7.54 35.49 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.034 0.934 . . . . 0.0 112.064 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t 51.98 28.89 5.6 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.017 1.327 . . . . 0.0 111.617 -170.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.8 m -152.6 164.86 36.85 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.538 1.535 . . . . 0.0 108.037 -168.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.2 m -140.99 149.05 54.61 Favored Pre-proline 0 CA--C 1.531 0.248 0 C-N-CA 125.533 1.533 . . . . 0.0 107.876 169.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -73.77 156.97 48.4 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.521 2.147 . . . . 0.0 109.871 174.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.6 t -74.7 71.63 1.94 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.998 0.919 . . . . 0.0 110.251 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -149.1 -39.72 0.15 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.968 1.707 . . . . 0.0 109.834 -178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -114.05 103.9 55.04 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 124.971 1.309 . . . . 0.0 108.689 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.65 -20.0 5.87 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.981 2.454 . . . . 0.0 113.426 -171.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.347 -1.311 . . . . 0.0 109.76 -173.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt . . . . . 0 N--CA 1.471 0.619 0 N-CA-C 110.65 -0.13 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -93.38 135.83 34.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.65 1.18 . . . . 0.0 109.284 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.9 m -142.88 117.03 9.49 Favored 'General case' 0 C--N 1.337 0.037 0 C-N-CA 124.769 1.227 . . . . 0.0 108.857 -171.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.7 m -115.83 156.05 46.96 Favored Pre-proline 0 CA--C 1.533 0.3 0 C-N-CA 125.018 1.327 . . . . 0.0 111.516 -172.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -66.83 -39.32 15.02 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.255 2.637 . . . . 0.0 111.54 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -163.56 175.14 10.96 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.133 0.573 . . . . 0.0 110.678 -170.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 m -61.25 -32.31 72.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.428 1.491 . . . . 0.0 112.012 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m -69.63 -37.75 76.92 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.392 0.542 . . . . 0.0 110.077 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.56 -49.91 69.61 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 172.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -54.85 -46.94 74.74 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.933 0.493 . . . . 0.0 111.056 174.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.33 -53.16 61.29 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 119.167 -0.444 . . . . 0.0 111.112 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -58.35 -48.56 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 122.982 0.513 . . . . 0.0 109.834 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -54.21 -55.74 25.06 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.328 1.051 . . . . 0.0 111.008 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -60.17 -43.16 96.06 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.091 0.956 . . . . 0.0 111.998 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.5 m -62.38 -45.42 93.22 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.33 0.514 . . . . 0.0 110.519 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.9 t -64.12 -44.67 91.53 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.619 0.768 . . . . 0.0 111.126 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -57.34 -46.21 83.53 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.701 0.8 . . . . 0.0 110.67 175.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.97 -45.79 93.36 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.079 0.952 . . . . 0.0 111.022 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.51 80.55 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.408 0.683 . . . . 0.0 110.979 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.48 30.82 1.03 Allowed Glycine 0 C--N 1.34 0.78 0 C-N-CA 124.565 1.079 . . . . 0.0 112.105 171.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.17 149.68 24.16 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 173.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.1 m -61.06 151.64 30.31 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.267 0.627 . . . . 0.0 110.773 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -53.31 -55.29 25.95 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 123.766 0.826 . . . . 0.0 111.096 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -56.64 -47.76 79.02 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.112 0.965 . . . . 0.0 110.944 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -61.77 -49.58 75.81 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.743 0.817 . . . . 0.0 111.529 -176.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.3 m -60.97 -41.35 96.21 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.993 0.917 . . . . 0.0 111.374 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.01 95.91 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.72 0.408 . . . . 0.0 110.295 177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -58.98 -49.98 75.81 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.868 0.867 . . . . 0.0 110.868 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.4 tp -55.76 -44.81 77.99 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.876 1.271 . . . . 0.0 111.179 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.5 p -76.39 -33.63 58.87 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.84 0.856 . . . . 0.0 112.122 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.94 11.78 42.11 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.306 1.431 . . . . 0.0 112.12 -173.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.0 m -84.5 158.72 20.9 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.227 1.011 . . . . 0.0 109.96 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.14 135.79 53.42 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 125.385 1.474 . . . . 0.0 109.237 175.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.4 mm -108.4 113.21 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.6 pt -141.55 134.74 29.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 C-N-CA 123.133 0.573 . . . . 0.0 109.636 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -89.24 9.99 23.79 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.405 1.082 . . . . 0.0 112.444 -171.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.71 -4.08 35.3 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.727 0.811 . . . . 0.0 112.473 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t 52.29 30.05 7.48 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.527 1.531 . . . . 0.0 111.601 -172.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -149.77 144.79 26.25 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 126.343 1.857 . . . . 0.0 106.408 -174.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 99.4 m -142.6 145.64 35.18 Favored Pre-proline 0 CA--C 1.532 0.252 0 C-N-CA 124.23 1.012 . . . . 0.0 109.537 -177.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.32 168.39 24.7 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 123.068 2.512 . . . . 0.0 111.703 -176.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.1 m -74.16 64.17 1.05 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.383 1.473 . . . . 0.0 111.01 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -143.73 -38.26 0.32 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 126.573 1.949 . . . . 0.0 109.49 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -126.25 72.09 71.33 Favored Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 124.408 1.083 . . . . 0.0 110.717 -172.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -80.43 -11.52 13.05 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.158 2.572 . . . . 0.0 113.005 -175.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 116.963 -1.494 . . . . 0.0 111.42 -169.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -94.45 145.79 24.54 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.588 1.155 . . . . 0.0 108.791 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.4 m -146.23 111.75 5.52 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.701 1.2 . . . . 0.0 108.901 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.7 m -108.46 159.26 31.46 Favored Pre-proline 0 CA--C 1.531 0.223 0 C-N-CA 125.142 1.377 . . . . 0.0 110.951 -174.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -63.7 -38.94 37.28 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 123.181 2.588 . . . . 0.0 111.809 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -168.19 -177.86 3.44 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.025 0.53 . . . . 0.0 111.115 -172.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.3 m -57.21 -36.79 71.3 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.068 1.747 . . . . 0.0 111.969 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -71.67 -39.09 70.51 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.291 0.496 . . . . 0.0 109.735 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.67 -49.94 59.48 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 171.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -56.54 -47.62 79.02 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.006 173.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -55.3 -49.75 71.35 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.78 0.718 . . . . 0.0 111.391 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.22 -48.3 89.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 123.111 0.564 . . . . 0.0 109.982 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -55.51 -53.66 53.63 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.498 1.119 . . . . 0.0 111.236 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -62.07 -47.2 85.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.453 1.101 . . . . 0.0 110.933 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 83.3 m -57.08 -47.15 81.72 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.766 0.426 . . . . 0.0 110.38 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 t -62.58 -42.28 99.46 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.79 0.836 . . . . 0.0 111.616 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -60.12 -45.9 91.44 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.208 0.603 . . . . 0.0 110.995 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -63.42 -41.56 98.7 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.122 0.569 . . . . 0.0 111.106 175.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.61 -44.23 85.32 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.038 0.535 . . . . 0.0 110.728 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.73 -25.06 0.83 Allowed Glycine 0 CA--C 1.529 0.956 0 CA-C-O 119.34 -0.7 . . . . 0.0 113.091 172.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.03 148.51 36.07 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 117.861 0.83 . . . . 0.0 112.72 -169.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.0 m -64.02 159.59 19.8 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.552 1.141 . . . . 0.0 111.642 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -54.33 -57.17 12.26 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 123.726 0.811 . . . . 0.0 111.316 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -58.57 -46.05 87.73 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.581 0.752 . . . . 0.0 110.644 -178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -58.78 -54.2 49.72 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.441 1.096 . . . . 0.0 110.601 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.11 -41.01 95.91 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.997 0.919 . . . . 0.0 111.499 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.85 91.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.379 0.671 . . . . 0.0 110.108 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -60.88 -51.63 68.5 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.585 0.754 . . . . 0.0 110.371 175.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.3 tp -53.2 -46.2 68.93 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.712 1.205 . . . . 0.0 111.162 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.8 p -77.2 -36.39 54.91 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.228 1.011 . . . . 0.0 111.837 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.09 18.6 19.28 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.654 1.597 . . . . 0.0 111.854 -174.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.5 m -84.83 161.75 19.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.48 1.112 . . . . 0.0 110.161 173.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -105.03 150.26 25.11 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 125.116 1.367 . . . . 0.0 108.806 171.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.7 mm -122.0 101.49 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 169.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 pt -138.67 133.77 42.31 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 123.475 0.71 . . . . 0.0 109.546 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 t -100.01 38.1 1.53 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.99 0.916 . . . . 0.0 110.666 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.6 -2.12 57.83 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.912 0.885 . . . . 0.0 112.049 176.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t 56.36 25.95 10.08 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.105 1.362 . . . . 0.0 111.689 -171.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.6 m -156.49 147.93 22.49 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 126.261 1.824 . . . . 0.0 107.013 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 60.8 m -139.1 146.92 51.43 Favored Pre-proline 0 CA--C 1.53 0.18 0 C-N-CA 124.485 1.114 . . . . 0.0 109.039 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -72.13 163.32 39.08 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 123.13 2.553 . . . . 0.0 111.223 -176.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 m -74.61 65.71 1.34 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.241 1.417 . . . . 0.0 111.26 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -145.87 -37.31 0.26 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.652 1.981 . . . . 0.0 109.497 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -120.55 81.42 31.81 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 125.018 1.327 . . . . 0.0 109.798 -174.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.03 -16.87 22.62 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 123.496 2.798 . . . . 0.0 113.478 -174.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.825 -1.083 . . . . 0.0 109.26 -173.363 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m 67.35 102.24 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.887 1.675 . . . . 0.0 111.554 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.6 m -141.68 137.3 31.65 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.649 0.78 . . . . 0.0 111.271 -166.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 71.2 m -118.79 156.81 51.42 Favored Pre-proline 0 CA--C 1.532 0.251 0 C-N-CA 125.48 1.512 . . . . 0.0 111.019 -173.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.92 -35.3 3.31 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.002 2.468 . . . . 0.0 111.344 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -149.22 166.2 29.58 Favored 'General case' 0 C--N 1.342 0.264 0 C-N-CA 123.83 0.852 . . . . 0.0 111.221 -171.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 m -61.52 -32.73 72.79 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.769 1.228 . . . . 0.0 110.42 172.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.6 m -62.71 -39.01 92.7 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.012 0.525 . . . . 0.0 110.049 172.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.17 -50.11 71.33 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 173.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -56.79 -44.15 81.6 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 117.202 0.501 . . . . 0.0 111.412 175.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.59 -54.2 49.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.591 0.756 . . . . 0.0 110.892 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.17 -45.74 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 122.737 0.415 . . . . 0.0 110.025 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -55.79 -52.59 63.45 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.19 0.996 . . . . 0.0 110.968 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -62.03 -42.72 99.47 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.308 1.043 . . . . 0.0 111.768 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.4 m -60.57 -46.82 88.81 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.206 0.457 . . . . 0.0 110.336 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.1 t -65.3 -37.94 88.68 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.068 0.947 . . . . 0.0 111.541 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -44.48 95.98 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.814 0.845 . . . . 0.0 110.69 174.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -64.59 -43.68 93.03 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.534 0.734 . . . . 0.0 110.981 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.26 -44.47 92.4 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.547 0.739 . . . . 0.0 110.517 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.49 41.33 0.81 Allowed Glycine 0 C--N 1.339 0.721 0 C-N-CA 124.551 1.072 . . . . 0.0 112.366 170.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.56 175.06 55.03 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 166.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.8 m -78.14 151.08 33.49 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 117.884 0.842 . . . . 0.0 109.647 173.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -53.83 -54.4 38.95 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 123.376 0.67 . . . . 0.0 111.418 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -57.56 -47.53 81.79 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.477 0.711 . . . . 0.0 111.063 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -60.21 -51.98 67.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.787 0.835 . . . . 0.0 110.634 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 89.8 m -56.87 -40.9 77.03 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.326 1.05 . . . . 0.0 111.622 175.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.55 77.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 122.873 0.469 . . . . 0.0 110.777 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.86 -52.02 65.52 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.103 0.561 . . . . 0.0 111.067 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.0 tp -52.23 -45.4 65.27 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.536 1.135 . . . . 0.0 110.953 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.2 p -77.29 -33.32 55.8 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.918 0.887 . . . . 0.0 112.417 -176.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.36 -1.01 31.01 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.32 1.438 . . . . 0.0 112.374 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.5 m -80.86 161.02 24.61 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.359 1.079 . . . . 0.0 111.013 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -106.91 147.17 30.13 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.899 1.68 . . . . 0.0 108.952 175.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.6 mm -124.74 107.77 18.93 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 C-N-CA 125.16 1.384 . . . . 0.0 107.398 170.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.7 pt -133.05 140.91 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 170.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 m -97.31 35.21 1.65 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.392 1.077 . . . . 0.0 110.822 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.79 3.34 54.66 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.181 0.992 . . . . 0.0 112.316 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t 53.62 33.66 16.98 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.698 1.199 . . . . 0.0 111.415 -171.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.4 m -154.96 162.37 41.11 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.567 1.547 . . . . 0.0 108.198 -174.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 95.1 m -144.46 146.92 34.52 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 125.413 1.485 . . . . 0.0 108.525 169.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.04 163.94 35.58 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.316 2.677 . . . . 0.0 111.02 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.4 t -74.56 65.5 1.3 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.153 1.381 . . . . 0.0 111.028 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -149.69 -29.67 0.24 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.649 1.579 . . . . 0.0 111.156 -175.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -125.53 75.77 69.52 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 124.429 1.092 . . . . 0.0 109.957 -174.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -78.31 -6.91 15.89 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.629 2.219 . . . . 0.0 114.273 -173.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.154 0 CA-C-O 116.775 -1.583 . . . . 0.0 110.204 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 120.031 -0.033 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -75.44 129.23 36.97 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 166.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.9 m -150.73 129.1 12.05 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 123.443 0.697 . . . . 0.0 110.162 -174.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 92.1 m -117.52 154.96 50.77 Favored Pre-proline 0 CA--C 1.534 0.338 0 C-N-CA 126.199 1.799 . . . . 0.0 111.595 -171.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.5 -33.72 6.54 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.656 2.904 . . . . 0.0 111.847 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -143.77 162.3 36.37 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 124.245 1.018 . . . . 0.0 110.31 -170.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.7 m -61.27 -33.93 74.35 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.979 0.912 . . . . 0.0 110.16 170.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.0 m -62.22 -37.73 86.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.466 0.707 . . . . 0.0 110.278 172.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.86 -50.9 62.71 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 173.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -56.69 -44.47 81.5 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 117.166 0.483 . . . . 0.0 111.061 175.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -56.73 -55.79 29.69 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.231 0.612 . . . . 0.0 111.117 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.04 -48.2 88.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 118.293 0.497 . . . . 0.0 109.898 -177.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -51.46 -53.36 37.99 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.572 1.149 . . . . 0.0 111.401 176.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -62.68 -42.88 99.86 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.986 0.914 . . . . 0.0 112.01 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.1 m -62.31 -44.95 95.31 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.435 0.561 . . . . 0.0 110.544 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.5 t -65.07 -44.81 87.74 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.109 0.964 . . . . 0.0 111.297 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -58.37 -44.85 89.03 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.664 0.785 . . . . 0.0 110.722 175.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -63.22 -44.83 94.2 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.061 0.944 . . . . 0.0 110.915 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.65 -44.78 85.89 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.498 0.719 . . . . 0.0 110.674 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.87 37.73 0.38 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 124.463 1.03 . . . . 0.0 112.254 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.54 153.69 21.8 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 174.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 m -65.25 153.87 39.8 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.24 0.616 . . . . 0.0 110.624 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -54.78 -55.18 32.92 Favored 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 123.697 0.799 . . . . 0.0 110.706 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.75 -46.95 81.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.098 0.959 . . . . 0.0 111.524 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -63.28 -51.96 63.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.065 0.546 . . . . 0.0 110.999 -175.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.1 m -59.37 -42.55 91.87 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.226 1.01 . . . . 0.0 111.474 176.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.47 -51.28 68.09 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.914 0.485 . . . . 0.0 110.241 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -56.31 -51.07 69.57 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.121 0.969 . . . . 0.0 111.192 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.3 tp -53.44 -42.65 67.35 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.533 1.133 . . . . 0.0 111.097 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.0 p -79.68 -35.08 39.66 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.375 0.67 . . . . 0.0 112.029 -176.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.33 -0.52 18.79 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.851 1.691 . . . . 0.0 112.497 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.6 m -82.7 156.98 23.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.754 1.222 . . . . 0.0 110.834 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -106.38 140.27 39.57 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.636 1.174 . . . . 0.0 109.165 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.4 mm -109.06 119.0 57.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.149 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 162.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.9 pt -134.25 138.39 50.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -93.07 34.26 1.13 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.549 1.14 . . . . 0.0 110.97 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.97 7.99 45.46 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.798 1.239 . . . . 0.0 111.74 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 t 47.44 36.56 5.16 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.29 1.436 . . . . 0.0 111.789 -173.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.0 m -146.23 164.13 33.27 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.517 1.527 . . . . 0.0 107.664 -175.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 89.5 m -142.87 143.37 25.15 Favored Pre-proline 0 CA--C 1.531 0.248 0 C-N-CA 124.997 1.319 . . . . 0.0 108.224 168.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -80.02 165.19 21.96 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.168 2.579 . . . . 0.0 110.959 -178.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 t -74.97 68.3 1.79 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.827 1.251 . . . . 0.0 110.476 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -152.63 -36.15 0.11 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.955 1.702 . . . . 0.0 110.287 -175.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -124.81 81.41 61.59 Favored Pre-proline 0 CA--C 1.536 0.406 0 C-N-CA 124.632 1.173 . . . . 0.0 109.568 -173.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.8 -9.49 12.03 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.176 2.584 . . . . 0.0 114.664 -167.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? . . . . . 0 C--O 1.247 0.947 0 CA-C-O 117.752 -1.118 . . . . 0.0 108.324 174.015 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp . . . . . 0 N--CA 1.473 0.676 0 CA-C-O 119.646 -0.216 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -85.39 135.97 33.65 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 124.003 0.921 . . . . 0.0 111.041 -174.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.5 m -147.98 128.44 14.02 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.14 0.976 . . . . 0.0 109.737 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.7 m -116.56 156.28 47.77 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 125.435 1.494 . . . . 0.0 111.043 -172.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.28 -37.17 8.27 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.843 3.029 . . . . 0.0 111.257 173.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -159.02 170.22 22.57 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 121.509 0.671 . . . . 0.0 111.616 -171.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.8 m -64.41 -34.6 78.57 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.593 1.557 . . . . 0.0 112.083 -176.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 m -65.67 -37.32 86.17 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.459 0.572 . . . . 0.0 109.626 176.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.94 -52.63 45.25 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 170.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -55.3 -45.4 76.27 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 117.619 0.709 . . . . 0.0 111.66 175.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -57.06 -52.99 63.07 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.233 0.47 . . . . 0.0 110.98 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -59.88 -47.34 91.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 122.891 0.476 . . . . 0.0 109.93 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -54.74 -52.87 61.19 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.879 1.272 . . . . 0.0 111.294 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -63.22 -44.4 95.39 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 124.237 1.015 . . . . 0.0 111.501 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.9 m -61.7 -45.76 92.58 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.086 0.403 . . . . 0.0 110.524 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -62.26 -46.64 87.92 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.091 0.956 . . . . 0.0 111.199 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -57.38 -47.73 80.9 Favored 'General case' 0 C--O 1.231 0.101 0 C-N-CA 123.772 0.829 . . . . 0.0 110.721 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -61.91 -43.47 98.77 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.245 1.018 . . . . 0.0 110.973 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.54 -43.72 89.34 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.246 0.618 . . . . 0.0 110.75 175.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.5 -7.95 1.35 Allowed Glycine 0 CA--C 1.529 0.943 0 CA-C-O 119.05 -0.861 . . . . 0.0 113.778 172.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.1 145.54 50.11 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-N 118.77 1.285 . . . . 0.0 111.795 -174.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -62.08 156.15 22.24 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.082 0.953 . . . . 0.0 111.239 -177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -55.82 -54.46 44.21 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 122.836 0.454 . . . . 0.0 111.398 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -56.42 -50.82 70.53 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.659 0.784 . . . . 0.0 110.809 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -57.64 -51.08 70.96 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.952 0.901 . . . . 0.0 111.084 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.7 m -62.35 -39.78 94.22 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.036 0.934 . . . . 0.0 111.708 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.48 81.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -56.22 -55.15 36.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.901 0.88 . . . . 0.0 110.442 176.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.6 tp -52.13 -43.83 64.21 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.154 1.382 . . . . 0.0 111.696 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.6 p -78.59 -30.22 46.53 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.486 0.714 . . . . 0.0 112.286 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.69 22.17 24.44 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 124.852 1.215 . . . . 0.0 111.902 -174.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.4 m -97.51 165.26 12.08 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.223 1.409 . . . . 0.0 109.722 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -121.73 132.38 54.59 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.102 1.361 . . . . 0.0 110.29 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 mm -111.41 126.65 68.82 Favored 'Isoleucine or valine' 0 C--N 1.342 0.243 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 169.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 pt -134.47 143.77 36.94 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-N 118.552 0.614 . . . . 0.0 110.218 169.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.6 t -91.85 43.09 1.12 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.558 1.143 . . . . 0.0 110.172 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.99 6.47 38.86 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.469 1.108 . . . . 0.0 111.561 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.5 t 48.69 36.15 7.35 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.912 1.285 . . . . 0.0 110.81 -167.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.9 m -154.9 175.52 13.68 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.877 2.071 . . . . 0.0 106.448 -170.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 56.5 m -135.21 154.42 78.82 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 124.409 1.083 . . . . 0.0 110.511 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.96 174.91 10.52 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.696 2.931 . . . . 0.0 112.706 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -22.93 -64.99 0.04 OUTLIER 'General case' 0 C--N 1.343 0.292 0 C-N-CA 128.907 2.883 . . . . 0.0 115.633 -167.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -150.16 83.98 1.38 Allowed 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.508 0.594 . . . . 0.0 110.88 -175.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -134.37 65.95 69.36 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 124.831 1.252 . . . . 0.0 109.217 171.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -85.26 11.15 3.46 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.449 2.099 . . . . 0.0 113.197 -173.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.112 0.965 . . . . 0.0 110.797 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.3 pttt . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m -79.88 144.64 33.25 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.669 0.788 . . . . 0.0 109.343 172.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.4 m -144.59 122.28 11.86 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 124.458 1.103 . . . . 0.0 109.111 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.1 m -118.52 154.26 52.3 Favored Pre-proline 0 CA--C 1.533 0.3 0 C-N-CA 126.222 1.809 . . . . 0.0 110.832 -172.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -64.19 -38.76 34.13 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.961 3.107 . . . . 0.0 111.646 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -160.51 174.89 13.4 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.54 0.686 . . . . 0.0 111.117 -169.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.8 m -61.43 -35.43 77.53 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.547 1.539 . . . . 0.0 111.477 -177.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.0 m -64.98 -39.39 93.4 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.325 0.511 . . . . 0.0 110.236 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.28 -51.34 56.68 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -55.87 -47.33 77.55 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 117.079 0.439 . . . . 0.0 111.379 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -55.85 -51.61 66.93 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.372 0.669 . . . . 0.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.78 -47.37 88.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -52.07 -53.47 41.92 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.437 1.095 . . . . 0.0 111.037 177.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -60.68 -44.57 96.33 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.312 1.045 . . . . 0.0 111.503 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.7 m -61.19 -46.77 89.1 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.44 0.564 . . . . 0.0 110.559 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.1 t -61.72 -43.4 98.93 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.447 1.099 . . . . 0.0 111.271 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -61.02 -42.4 98.38 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.394 0.678 . . . . 0.0 110.888 175.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -63.11 -43.09 99.43 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.934 0.893 . . . . 0.0 110.505 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.61 -45.77 92.75 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.641 0.776 . . . . 0.0 110.869 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.85 29.49 0.81 Allowed Glycine 0 CA--C 1.528 0.853 0 C-N-CA 124.28 0.943 . . . . 0.0 112.859 171.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.09 151.27 31.45 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 173.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -61.12 151.35 31.37 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.506 0.723 . . . . 0.0 110.594 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -54.86 -57.13 12.85 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.78 -36.6 84.42 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 119.233 -0.413 . . . . 0.0 111.908 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -61.58 -50.55 72.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.307 0.503 . . . . 0.0 110.447 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.0 m -60.66 -40.21 91.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.276 1.03 . . . . 0.0 111.654 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.84 -55.74 26.74 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -53.71 -51.01 64.65 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.46 1.104 . . . . 0.0 111.599 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.0 tp -51.71 -47.39 63.98 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.428 1.491 . . . . 0.0 110.963 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.3 p -77.3 -26.34 52.19 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.322 0.649 . . . . 0.0 112.288 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.24 19.52 20.87 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.01 1.29 . . . . 0.0 112.096 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 29.9 m -97.97 165.78 11.75 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.888 1.675 . . . . 0.0 109.684 173.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -114.34 171.14 7.8 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 124.197 0.999 . . . . 0.0 110.198 165.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.6 mt -137.08 133.54 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 166.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.9 pt -142.95 152.12 17.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.111 0.964 . . . . 0.0 109.616 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.8 p -91.96 16.76 10.39 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.145 0.978 . . . . 0.0 111.737 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.14 -22.13 39.28 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.643 0.777 . . . . 0.0 111.758 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t 74.59 -35.28 0.29 Allowed 'General case' 0 C--N 1.345 0.376 0 C-N-CA 127.204 2.202 . . . . 0.0 112.589 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.7 m -102.27 129.55 48.72 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 125.41 1.484 . . . . 0.0 107.766 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.2 m -111.85 151.23 43.33 Favored Pre-proline 0 CA--C 1.532 0.258 0 C-N-CA 125.544 1.538 . . . . 0.0 109.039 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.9 159.99 51.29 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.056 2.504 . . . . 0.0 111.196 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.1 m -73.98 66.26 1.16 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.16 1.384 . . . . 0.0 110.34 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -155.4 -34.69 0.09 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 127.314 2.246 . . . . 0.0 109.364 -173.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -116.91 74.47 6.87 Favored Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 125.061 1.344 . . . . 0.0 108.635 174.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -77.6 -8.92 17.22 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.782 2.988 . . . . 0.0 114.429 -170.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? . . . . . 0 C--O 1.248 1.004 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 177.257 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.5 pttp . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m 60.49 98.04 0.03 OUTLIER 'General case' 0 C--N 1.342 0.279 0 C-N-CA 125.465 1.506 . . . . 0.0 112.751 172.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.0 m -132.13 132.62 43.42 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.641 0.777 . . . . 0.0 110.5 -172.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.3 m -114.88 156.54 44.94 Favored Pre-proline 0 CA--C 1.529 0.138 0 C-N-CA 125.033 1.333 . . . . 0.0 110.593 -177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -66.38 -45.1 5.64 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.663 2.242 . . . . 0.0 111.181 176.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -161.81 178.02 9.33 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.05 0.54 . . . . 0.0 111.151 -168.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 m -60.31 -36.7 78.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.457 1.503 . . . . 0.0 111.844 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -69.25 -38.16 78.31 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.98 -52.38 51.57 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 171.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -55.18 -48.09 74.3 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.051 0.54 . . . . 0.0 110.863 175.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -55.44 -52.64 62.94 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.275 0.63 . . . . 0.0 110.981 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.0 mt -57.99 -46.71 87.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 123.059 0.543 . . . . 0.0 109.976 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.17 -52.3 66.14 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.787 0.835 . . . . 0.0 111.398 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -61.04 -45.26 95.51 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.438 1.095 . . . . 0.0 111.41 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 92.5 m -60.44 -47.62 85.32 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.926 0.49 . . . . 0.0 110.495 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.5 t -60.02 -47.44 85.82 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.13 0.972 . . . . 0.0 111.063 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -59.91 -45.79 91.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.804 0.842 . . . . 0.0 111.118 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -63.51 -44.97 92.76 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.747 0.819 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.92 79.72 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.558 0.743 . . . . 0.0 110.673 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 143.5 -1.07 1.33 Allowed Glycine 0 CA--C 1.529 0.948 0 CA-C-O 119.004 -0.887 . . . . 0.0 113.636 170.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.55 141.25 43.87 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 118.732 1.266 . . . . 0.0 111.019 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.9 m -62.06 155.13 24.84 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.697 0.799 . . . . 0.0 111.07 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -52.82 -55.59 21.89 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 123.438 0.695 . . . . 0.0 112.319 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -66.96 -34.35 77.56 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.003 0.521 . . . . 0.0 112.134 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -61.96 -52.19 65.01 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.3 m -60.81 -36.36 78.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.114 0.966 . . . . 0.0 111.804 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.49 -52.24 64.32 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 124.077 0.951 . . . . 0.0 110.033 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -58.99 -52.4 65.94 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.93 0.892 . . . . 0.0 110.512 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 tp -54.92 -43.57 73.44 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.74 1.216 . . . . 0.0 111.656 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.8 p -78.1 -39.23 42.11 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.009 0.924 . . . . 0.0 111.53 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.7 -2.14 49.01 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 124.733 1.158 . . . . 0.0 111.605 -169.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.1 m -74.74 153.82 38.65 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 119.124 1.462 . . . . 0.0 110.511 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -101.97 115.86 31.44 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.285 1.434 . . . . 0.0 107.799 174.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.6 mm -111.6 104.77 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.7 pt -135.1 143.22 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.554 1.141 . . . . 0.0 108.478 172.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.0 p -93.02 30.55 1.59 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.595 1.158 . . . . 0.0 111.221 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -87.96 8.72 25.04 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.293 1.037 . . . . 0.0 111.931 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.5 t 50.33 31.83 5.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.347 1.459 . . . . 0.0 111.784 -171.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.0 m -151.36 165.03 35.33 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.869 1.668 . . . . 0.0 107.703 -173.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 85.1 m -144.88 153.67 54.22 Favored Pre-proline 0 CA--C 1.535 0.366 0 C-N-CA 125.033 1.333 . . . . 0.0 108.297 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -64.73 134.27 40.02 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 122.358 2.039 . . . . 0.0 108.357 164.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.7 t -75.61 68.45 2.22 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.891 0.877 . . . . 0.0 111.717 -172.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -146.83 19.12 1.28 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.874 1.269 . . . . 0.0 110.739 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -145.27 78.88 11.98 Favored Pre-proline 0 C--N 1.341 0.218 0 C-N-CA 124.152 0.981 . . . . 0.0 109.363 -170.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -89.06 40.52 0.51 Allowed 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 123.199 2.599 . . . . 0.0 112.608 -168.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.215 0 C-N-CA 124.626 1.17 . . . . 0.0 110.87 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 m -91.75 127.84 37.36 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.267 1.027 . . . . 0.0 109.112 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.3 m -139.76 125.37 19.3 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 123.957 0.903 . . . . 0.0 109.761 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.2 m -118.67 153.96 52.45 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 124.557 1.143 . . . . 0.0 111.96 -162.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.98 -36.83 12.09 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.579 2.852 . . . . 0.0 111.686 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -166.57 177.03 6.88 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.647 0.779 . . . . 0.0 110.517 -169.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.5 m -63.04 -37.47 87.33 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.086 1.354 . . . . 0.0 111.853 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.1 m -68.21 -38.25 81.74 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.221 0.464 . . . . 0.0 109.937 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.73 -53.09 44.13 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 171.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -52.68 -49.59 64.98 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 117.3 0.55 . . . . 0.0 111.478 174.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -56.49 -51.85 66.94 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.034 0.534 . . . . 0.0 111.138 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.2 mt -61.31 -45.29 98.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 123.185 0.594 . . . . 0.0 110.204 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -57.11 -53.05 62.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.689 0.796 . . . . 0.0 110.841 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -62.93 -38.86 92.69 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.081 0.952 . . . . 0.0 111.627 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 92.5 m -58.82 -50.69 73.04 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.979 0.512 . . . . 0.0 110.14 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.2 t -64.32 -38.92 92.74 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.191 0.996 . . . . 0.0 111.489 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -63.31 -44.01 96.19 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.604 0.762 . . . . 0.0 111.159 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -63.12 -48.78 77.08 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 123.455 0.702 . . . . 0.0 110.813 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.57 83.38 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.269 0.627 . . . . 0.0 110.292 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.56 60.43 0.54 Allowed Glycine 0 C--N 1.339 0.707 0 C-N-CA 124.557 1.075 . . . . 0.0 111.04 171.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.56 177.25 34.47 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 165.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -75.13 148.72 39.43 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 173.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -52.22 -54.64 28.52 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 123.793 0.837 . . . . 0.0 111.101 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.91 -39.85 95.13 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.151 0.98 . . . . 0.0 112.137 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -65.21 -47.63 76.19 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.682 0.793 . . . . 0.0 110.86 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.6 m -61.79 -39.31 91.28 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.078 0.951 . . . . 0.0 111.413 175.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.49 82.79 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.354 0.662 . . . . 0.0 110.394 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -58.23 -51.48 69.6 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.461 0.704 . . . . 0.0 111.133 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.5 tp -51.67 -50.14 60.99 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.966 0.907 . . . . 0.0 110.623 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.2 p -75.18 -34.11 61.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.739 0.815 . . . . 0.0 112.055 -172.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.5 -22.72 13.0 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.684 1.135 . . . . 0.0 111.213 -170.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.1 m -64.62 163.71 13.24 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.561 1.18 . . . . 0.0 112.619 -173.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -108.15 150.03 27.74 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 126.369 1.868 . . . . 0.0 109.554 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.0 mm -126.81 103.8 11.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 125.77 1.628 . . . . 0.0 107.149 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.2 pt -135.83 149.02 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 118.408 0.549 . . . . 0.0 110.858 171.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.3 p -100.94 38.39 1.56 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.505 1.522 . . . . 0.0 110.767 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.39 -3.87 58.76 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.496 0.718 . . . . 0.0 112.028 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t 54.45 28.17 9.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.027 1.331 . . . . 0.0 111.082 -165.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.8 m -160.1 158.45 30.33 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.106 1.762 . . . . 0.0 106.947 -173.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 69.8 m -141.93 151.57 59.78 Favored Pre-proline 0 CA--C 1.532 0.258 0 C-N-CA 124.015 0.926 . . . . 0.0 110.689 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.28 142.62 80.35 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 123.482 2.788 . . . . 0.0 111.509 174.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.4 m -56.71 -32.1 65.15 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.679 1.592 . . . . 0.0 112.813 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.67 -12.49 6.99 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.147 1.379 . . . . 0.0 113.128 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -120.04 77.29 23.62 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 124.877 1.271 . . . . 0.0 108.384 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -76.65 -19.81 14.23 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.702 2.935 . . . . 0.0 113.183 -170.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.127 -1.416 . . . . 0.0 110.385 -169.906 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.5 pttp . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t 70.03 128.23 0.03 OUTLIER 'General case' 0 C--N 1.343 0.292 0 C-N-CA 125.181 1.392 . . . . 0.0 109.145 -161.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.7 m -143.01 104.21 4.27 Favored 'General case' 0 CA--C 1.528 0.098 0 C-N-CA 122.895 0.478 . . . . 0.0 110.295 -163.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.1 m -107.88 154.47 41.01 Favored Pre-proline 0 CA--C 1.531 0.212 0 C-N-CA 124.734 1.214 . . . . 0.0 110.5 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -76.05 -36.0 2.17 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.086 2.524 . . . . 0.0 111.333 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -151.41 167.04 29.18 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.077 0.951 . . . . 0.0 110.666 -171.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 m -52.65 -38.45 60.42 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.885 1.674 . . . . 0.0 111.402 170.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 m -65.19 -38.98 92.18 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.01 0.524 . . . . 0.0 110.592 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.75 -48.49 85.98 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 173.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -56.34 -45.06 80.57 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 122.922 0.489 . . . . 0.0 111.003 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -57.34 -53.43 58.19 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.205 0.602 . . . . 0.0 111.022 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -59.76 -48.58 87.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.182 0.446 . . . . 0.0 109.834 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -53.95 -52.91 59.14 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.714 1.205 . . . . 0.0 111.442 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -63.01 -42.39 99.81 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.57 1.148 . . . . 0.0 111.681 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.8 m -61.79 -46.25 90.34 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.265 0.484 . . . . 0.0 110.44 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.9 t -63.38 -45.61 90.32 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.925 0.89 . . . . 0.0 111.4 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -56.28 -47.49 78.52 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.007 0.923 . . . . 0.0 110.533 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.05 -42.7 99.79 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.084 0.954 . . . . 0.0 111.042 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.73 85.38 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.208 0.603 . . . . 0.0 110.785 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 139.73 8.86 0.9 Allowed Glycine 0 CA--C 1.53 0.98 0 CA-C-O 119.117 -0.824 . . . . 0.0 113.432 171.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.28 147.78 39.75 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 118.759 1.279 . . . . 0.0 110.489 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.1 m -63.73 157.86 23.15 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.558 0.743 . . . . 0.0 110.848 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -54.15 -54.6 37.42 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 123.422 0.689 . . . . 0.0 110.852 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -57.28 -48.15 79.62 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.813 0.845 . . . . 0.0 111.341 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -60.71 -51.56 68.86 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.841 0.856 . . . . 0.0 111.155 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.5 m -62.09 -38.95 90.81 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.295 1.038 . . . . 0.0 111.675 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.7 92.94 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 122.576 0.35 . . . . 0.0 110.295 176.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -59.96 -48.63 80.9 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.472 0.709 . . . . 0.0 110.822 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.4 tp -55.92 -47.38 77.61 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.298 1.439 . . . . 0.0 111.03 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.8 p -74.71 -37.58 62.55 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.785 0.834 . . . . 0.0 111.897 -176.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.72 -9.41 23.7 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.242 1.401 . . . . 0.0 111.904 -171.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.3 m -70.68 165.95 21.84 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.546 1.173 . . . . 0.0 111.076 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -112.77 154.71 25.79 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.074 1.75 . . . . 0.0 109.397 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.4 mm -119.47 114.74 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 125.248 1.419 . . . . 0.0 107.963 171.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 pt -132.87 144.06 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.224 1.009 . . . . 0.0 108.444 167.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 m -99.42 30.1 3.7 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.43 1.092 . . . . 0.0 111.037 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.56 -0.73 57.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.165 0.986 . . . . 0.0 112.6 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t 55.25 36.83 27.88 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.908 1.283 . . . . 0.0 111.183 -170.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.5 m -151.84 169.41 22.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.246 1.418 . . . . 0.0 108.143 -174.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 69.1 m -139.86 149.34 58.73 Favored Pre-proline 0 CA--C 1.53 0.184 0 C-N-CA 125.056 1.342 . . . . 0.0 109.259 170.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.28 159.09 40.72 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.018 2.479 . . . . 0.0 110.523 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -73.88 71.88 1.54 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.548 1.139 . . . . 0.0 109.502 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -171.02 -42.19 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.978 1.711 . . . . 0.0 109.358 -174.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -114.94 78.24 5.29 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 125.485 1.514 . . . . 0.0 109.304 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.16 -23.9 17.58 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 123.275 2.65 . . . . 0.0 114.725 -167.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.52 -1.229 . . . . 0.0 108.45 -178.719 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.0 pttt . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 p 64.7 119.43 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.786 2.035 . . . . 0.0 111.6 -172.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.9 m -147.92 133.0 18.26 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 122.7 0.4 . . . . 0.0 110.878 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.1 m -111.8 158.42 36.69 Favored Pre-proline 0 CA--C 1.531 0.245 0 C-N-CA 126.003 1.721 . . . . 0.0 110.525 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.18 -36.48 36.48 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.973 2.449 . . . . 0.0 111.306 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -165.82 175.85 8.39 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.144 0.977 . . . . 0.0 110.166 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.3 m -56.32 -39.87 73.47 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.621 1.568 . . . . 0.0 111.663 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 m -65.07 -35.85 82.46 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.47 0.308 . . . . 0.0 110.364 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.55 -52.33 48.78 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 170.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -57.73 -45.15 86.18 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 117.422 0.611 . . . . 0.0 111.211 176.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -56.71 -52.47 64.83 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.862 0.465 . . . . 0.0 111.061 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.08 -45.8 95.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.209 0.604 . . . . 0.0 110.045 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -55.56 -55.76 28.25 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.891 0.876 . . . . 0.0 110.718 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -57.53 -48.74 78.48 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.964 0.906 . . . . 0.0 110.783 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.7 m -54.9 -40.5 69.86 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.307 0.503 . . . . 0.0 110.778 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.7 t -66.77 -35.92 81.2 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.77 0.828 . . . . 0.0 112.284 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -60.33 -50.89 71.82 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.632 0.651 . . . . 0.0 110.637 171.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -59.01 -39.93 83.37 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.384 0.674 . . . . 0.0 111.461 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.09 99.7 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.307 0.643 . . . . 0.0 110.773 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.09 49.52 0.77 Allowed Glycine 0 C--N 1.339 0.737 0 C-N-CA 124.341 0.972 . . . . 0.0 111.823 172.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.37 -162.13 28.49 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 166.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.5 p -98.2 159.04 15.2 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 162.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -53.48 -45.06 69.45 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.39 0.276 . . . . 0.0 111.245 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.2 -52.23 63.13 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.494 0.718 . . . . 0.0 111.086 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -57.84 -44.97 86.83 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.938 0.495 . . . . 0.0 110.999 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.3 m -61.14 -38.27 85.79 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.26 0.624 . . . . 0.0 111.713 175.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.75 -54.61 44.93 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.221 0.609 . . . . 0.0 110.185 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -54.83 -54.02 47.73 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.281 0.632 . . . . 0.0 111.214 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.3 tp -53.62 -47.45 70.23 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.998 1.319 . . . . 0.0 111.429 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.5 p -74.03 -34.5 64.13 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.71 0.804 . . . . 0.0 111.747 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.81 -7.75 53.48 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.677 1.132 . . . . 0.0 111.453 -170.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -72.53 160.05 32.93 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 118.515 1.157 . . . . 0.0 110.578 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -102.9 135.86 43.8 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.652 1.181 . . . . 0.0 108.52 171.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.5 mm -116.88 109.79 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 166.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.4 pt -135.32 144.0 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.534 1.134 . . . . 0.0 108.448 172.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.2 m -96.37 33.12 1.84 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.399 1.08 . . . . 0.0 110.97 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.44 7.54 35.49 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.034 0.934 . . . . 0.0 112.064 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t 51.98 28.89 5.6 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.017 1.327 . . . . 0.0 111.617 -170.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.8 m -152.6 164.86 36.85 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.538 1.535 . . . . 0.0 108.037 -168.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.2 m -140.99 149.05 54.61 Favored Pre-proline 0 CA--C 1.531 0.248 0 C-N-CA 125.533 1.533 . . . . 0.0 107.876 169.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -73.77 156.97 48.4 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.521 2.147 . . . . 0.0 109.871 174.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.6 t -74.7 71.63 1.94 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.998 0.919 . . . . 0.0 110.251 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -149.1 -39.72 0.15 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.968 1.707 . . . . 0.0 109.834 -178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -114.05 103.9 55.04 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 124.971 1.309 . . . . 0.0 108.689 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.65 -20.0 5.87 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.981 2.454 . . . . 0.0 113.426 -171.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.347 -1.311 . . . . 0.0 109.76 -173.935 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt . . . . . 0 N--CA 1.471 0.619 0 N-CA-C 110.65 -0.13 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -93.38 135.83 34.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.65 1.18 . . . . 0.0 109.284 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.9 m -142.88 117.03 9.49 Favored 'General case' 0 C--N 1.337 0.037 0 C-N-CA 124.769 1.227 . . . . 0.0 108.857 -171.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.7 m -115.83 156.05 46.96 Favored Pre-proline 0 CA--C 1.533 0.3 0 C-N-CA 125.018 1.327 . . . . 0.0 111.516 -172.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -66.83 -39.32 15.02 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.255 2.637 . . . . 0.0 111.54 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -163.56 175.14 10.96 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.133 0.573 . . . . 0.0 110.678 -170.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 m -61.25 -32.31 72.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.428 1.491 . . . . 0.0 112.012 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m -69.63 -37.75 76.92 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.392 0.542 . . . . 0.0 110.077 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.56 -49.91 69.61 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 172.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -54.85 -46.94 74.74 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.933 0.493 . . . . 0.0 111.056 174.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.33 -53.16 61.29 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 119.167 -0.444 . . . . 0.0 111.112 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -58.35 -48.56 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 122.982 0.513 . . . . 0.0 109.834 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -54.21 -55.74 25.06 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.328 1.051 . . . . 0.0 111.008 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -60.17 -43.16 96.06 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.091 0.956 . . . . 0.0 111.998 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.5 m -62.38 -45.42 93.22 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.33 0.514 . . . . 0.0 110.519 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.9 t -64.12 -44.67 91.53 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.619 0.768 . . . . 0.0 111.126 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -57.34 -46.21 83.53 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.701 0.8 . . . . 0.0 110.67 175.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.97 -45.79 93.36 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.079 0.952 . . . . 0.0 111.022 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.51 80.55 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.408 0.683 . . . . 0.0 110.979 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.48 30.82 1.03 Allowed Glycine 0 C--N 1.34 0.78 0 C-N-CA 124.565 1.079 . . . . 0.0 112.105 171.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.17 149.68 24.16 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 173.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.1 m -61.06 151.64 30.31 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.267 0.627 . . . . 0.0 110.773 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -53.31 -55.29 25.95 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 123.766 0.826 . . . . 0.0 111.096 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -56.64 -47.76 79.02 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.112 0.965 . . . . 0.0 110.944 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -61.77 -49.58 75.81 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.743 0.817 . . . . 0.0 111.529 -176.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.3 m -60.97 -41.35 96.21 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.993 0.917 . . . . 0.0 111.374 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.01 95.91 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.72 0.408 . . . . 0.0 110.295 177.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -58.98 -49.98 75.81 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.868 0.867 . . . . 0.0 110.868 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.4 tp -55.76 -44.81 77.99 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.876 1.271 . . . . 0.0 111.179 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.5 p -76.39 -33.63 58.87 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.84 0.856 . . . . 0.0 112.122 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.94 11.78 42.11 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.306 1.431 . . . . 0.0 112.12 -173.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.0 m -84.5 158.72 20.9 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.227 1.011 . . . . 0.0 109.96 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.14 135.79 53.42 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 125.385 1.474 . . . . 0.0 109.237 175.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.4 mm -108.4 113.21 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.6 pt -141.55 134.74 29.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 C-N-CA 123.133 0.573 . . . . 0.0 109.636 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -89.24 9.99 23.79 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.405 1.082 . . . . 0.0 112.444 -171.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.71 -4.08 35.3 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.727 0.811 . . . . 0.0 112.473 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t 52.29 30.05 7.48 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.527 1.531 . . . . 0.0 111.601 -172.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -149.77 144.79 26.25 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 126.343 1.857 . . . . 0.0 106.408 -174.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 99.4 m -142.6 145.64 35.18 Favored Pre-proline 0 CA--C 1.532 0.252 0 C-N-CA 124.23 1.012 . . . . 0.0 109.537 -177.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.32 168.39 24.7 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 123.068 2.512 . . . . 0.0 111.703 -176.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.1 m -74.16 64.17 1.05 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.383 1.473 . . . . 0.0 111.01 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -143.73 -38.26 0.32 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 126.573 1.949 . . . . 0.0 109.49 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -126.25 72.09 71.33 Favored Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 124.408 1.083 . . . . 0.0 110.717 -172.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -80.43 -11.52 13.05 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.158 2.572 . . . . 0.0 113.005 -175.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 116.963 -1.494 . . . . 0.0 111.42 -169.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -94.45 145.79 24.54 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.588 1.155 . . . . 0.0 108.791 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.4 m -146.23 111.75 5.52 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.701 1.2 . . . . 0.0 108.901 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.7 m -108.46 159.26 31.46 Favored Pre-proline 0 CA--C 1.531 0.223 0 C-N-CA 125.142 1.377 . . . . 0.0 110.951 -174.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -63.7 -38.94 37.28 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 123.181 2.588 . . . . 0.0 111.809 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -168.19 -177.86 3.44 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.025 0.53 . . . . 0.0 111.115 -172.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.3 m -57.21 -36.79 71.3 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.068 1.747 . . . . 0.0 111.969 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -71.67 -39.09 70.51 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.291 0.496 . . . . 0.0 109.735 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.67 -49.94 59.48 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 171.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -56.54 -47.62 79.02 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.006 173.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -55.3 -49.75 71.35 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.78 0.718 . . . . 0.0 111.391 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.22 -48.3 89.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 123.111 0.564 . . . . 0.0 109.982 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -55.51 -53.66 53.63 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.498 1.119 . . . . 0.0 111.236 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -62.07 -47.2 85.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.453 1.101 . . . . 0.0 110.933 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 83.3 m -57.08 -47.15 81.72 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.766 0.426 . . . . 0.0 110.38 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 t -62.58 -42.28 99.46 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.79 0.836 . . . . 0.0 111.616 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -60.12 -45.9 91.44 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.208 0.603 . . . . 0.0 110.995 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -63.42 -41.56 98.7 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.122 0.569 . . . . 0.0 111.106 175.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.61 -44.23 85.32 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.038 0.535 . . . . 0.0 110.728 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.73 -25.06 0.83 Allowed Glycine 0 CA--C 1.529 0.956 0 CA-C-O 119.34 -0.7 . . . . 0.0 113.091 172.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.03 148.51 36.07 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 117.861 0.83 . . . . 0.0 112.72 -169.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.0 m -64.02 159.59 19.8 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.552 1.141 . . . . 0.0 111.642 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -54.33 -57.17 12.26 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 123.726 0.811 . . . . 0.0 111.316 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -58.57 -46.05 87.73 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.581 0.752 . . . . 0.0 110.644 -178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -58.78 -54.2 49.72 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.441 1.096 . . . . 0.0 110.601 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.11 -41.01 95.91 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.997 0.919 . . . . 0.0 111.499 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.85 91.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.379 0.671 . . . . 0.0 110.108 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -60.88 -51.63 68.5 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.585 0.754 . . . . 0.0 110.371 175.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.3 tp -53.2 -46.2 68.93 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.712 1.205 . . . . 0.0 111.162 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.8 p -77.2 -36.39 54.91 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.228 1.011 . . . . 0.0 111.837 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.09 18.6 19.28 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.654 1.597 . . . . 0.0 111.854 -174.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.5 m -84.83 161.75 19.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.48 1.112 . . . . 0.0 110.161 173.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -105.03 150.26 25.11 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 125.116 1.367 . . . . 0.0 108.806 171.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.7 mm -122.0 101.49 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 169.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 pt -138.67 133.77 42.31 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 123.475 0.71 . . . . 0.0 109.546 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 t -100.01 38.1 1.53 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.99 0.916 . . . . 0.0 110.666 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.6 -2.12 57.83 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.912 0.885 . . . . 0.0 112.049 176.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t 56.36 25.95 10.08 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.105 1.362 . . . . 0.0 111.689 -171.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.6 m -156.49 147.93 22.49 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 126.261 1.824 . . . . 0.0 107.013 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 60.8 m -139.1 146.92 51.43 Favored Pre-proline 0 CA--C 1.53 0.18 0 C-N-CA 124.485 1.114 . . . . 0.0 109.039 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -72.13 163.32 39.08 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 123.13 2.553 . . . . 0.0 111.223 -176.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 m -74.61 65.71 1.34 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.241 1.417 . . . . 0.0 111.26 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -145.87 -37.31 0.26 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.652 1.981 . . . . 0.0 109.497 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -120.55 81.42 31.81 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 125.018 1.327 . . . . 0.0 109.798 -174.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.03 -16.87 22.62 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 123.496 2.798 . . . . 0.0 113.478 -174.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.825 -1.083 . . . . 0.0 109.26 -173.363 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m 67.35 102.24 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.887 1.675 . . . . 0.0 111.554 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.6 m -141.68 137.3 31.65 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.649 0.78 . . . . 0.0 111.271 -166.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 71.2 m -118.79 156.81 51.42 Favored Pre-proline 0 CA--C 1.532 0.251 0 C-N-CA 125.48 1.512 . . . . 0.0 111.019 -173.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.92 -35.3 3.31 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.002 2.468 . . . . 0.0 111.344 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -149.22 166.2 29.58 Favored 'General case' 0 C--N 1.342 0.264 0 C-N-CA 123.83 0.852 . . . . 0.0 111.221 -171.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 m -61.52 -32.73 72.79 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.769 1.228 . . . . 0.0 110.42 172.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.6 m -62.71 -39.01 92.7 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.012 0.525 . . . . 0.0 110.049 172.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.17 -50.11 71.33 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 173.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -56.79 -44.15 81.6 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 117.202 0.501 . . . . 0.0 111.412 175.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.59 -54.2 49.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.591 0.756 . . . . 0.0 110.892 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.17 -45.74 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 122.737 0.415 . . . . 0.0 110.025 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -55.79 -52.59 63.45 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.19 0.996 . . . . 0.0 110.968 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -62.03 -42.72 99.47 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.308 1.043 . . . . 0.0 111.768 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.4 m -60.57 -46.82 88.81 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.206 0.457 . . . . 0.0 110.336 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.1 t -65.3 -37.94 88.68 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.068 0.947 . . . . 0.0 111.541 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -44.48 95.98 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.814 0.845 . . . . 0.0 110.69 174.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -64.59 -43.68 93.03 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.534 0.734 . . . . 0.0 110.981 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.26 -44.47 92.4 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.547 0.739 . . . . 0.0 110.517 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.49 41.33 0.81 Allowed Glycine 0 C--N 1.339 0.721 0 C-N-CA 124.551 1.072 . . . . 0.0 112.366 170.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.56 175.06 55.03 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 166.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.8 m -78.14 151.08 33.49 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 117.884 0.842 . . . . 0.0 109.647 173.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -53.83 -54.4 38.95 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 123.376 0.67 . . . . 0.0 111.418 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -57.56 -47.53 81.79 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.477 0.711 . . . . 0.0 111.063 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -60.21 -51.98 67.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.787 0.835 . . . . 0.0 110.634 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 89.8 m -56.87 -40.9 77.03 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.326 1.05 . . . . 0.0 111.622 175.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.55 77.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 122.873 0.469 . . . . 0.0 110.777 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.86 -52.02 65.52 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.103 0.561 . . . . 0.0 111.067 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.0 tp -52.23 -45.4 65.27 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.536 1.135 . . . . 0.0 110.953 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.2 p -77.29 -33.32 55.8 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.918 0.887 . . . . 0.0 112.417 -176.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.36 -1.01 31.01 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.32 1.438 . . . . 0.0 112.374 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.5 m -80.86 161.02 24.61 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.359 1.079 . . . . 0.0 111.013 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -106.91 147.17 30.13 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.899 1.68 . . . . 0.0 108.952 175.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.6 mm -124.74 107.77 18.93 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 C-N-CA 125.16 1.384 . . . . 0.0 107.398 170.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.7 pt -133.05 140.91 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 170.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 m -97.31 35.21 1.65 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.392 1.077 . . . . 0.0 110.822 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.79 3.34 54.66 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.181 0.992 . . . . 0.0 112.316 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t 53.62 33.66 16.98 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.698 1.199 . . . . 0.0 111.415 -171.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.4 m -154.96 162.37 41.11 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.567 1.547 . . . . 0.0 108.198 -174.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 95.1 m -144.46 146.92 34.52 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 125.413 1.485 . . . . 0.0 108.525 169.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.04 163.94 35.58 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.316 2.677 . . . . 0.0 111.02 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.4 t -74.56 65.5 1.3 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.153 1.381 . . . . 0.0 111.028 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -149.69 -29.67 0.24 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.649 1.579 . . . . 0.0 111.156 -175.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -125.53 75.77 69.52 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 124.429 1.092 . . . . 0.0 109.957 -174.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -78.31 -6.91 15.89 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.629 2.219 . . . . 0.0 114.273 -173.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.154 0 CA-C-O 116.775 -1.583 . . . . 0.0 110.204 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 120.031 -0.033 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -75.44 129.23 36.97 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 166.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.9 m -150.73 129.1 12.05 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 123.443 0.697 . . . . 0.0 110.162 -174.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 92.1 m -117.52 154.96 50.77 Favored Pre-proline 0 CA--C 1.534 0.338 0 C-N-CA 126.199 1.799 . . . . 0.0 111.595 -171.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.5 -33.72 6.54 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.656 2.904 . . . . 0.0 111.847 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -143.77 162.3 36.37 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 124.245 1.018 . . . . 0.0 110.31 -170.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.7 m -61.27 -33.93 74.35 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.979 0.912 . . . . 0.0 110.16 170.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.0 m -62.22 -37.73 86.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.466 0.707 . . . . 0.0 110.278 172.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.86 -50.9 62.71 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 173.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -56.69 -44.47 81.5 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 117.166 0.483 . . . . 0.0 111.061 175.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -56.73 -55.79 29.69 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.231 0.612 . . . . 0.0 111.117 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.04 -48.2 88.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 118.293 0.497 . . . . 0.0 109.898 -177.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -51.46 -53.36 37.99 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.572 1.149 . . . . 0.0 111.401 176.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -62.68 -42.88 99.86 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.986 0.914 . . . . 0.0 112.01 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.1 m -62.31 -44.95 95.31 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.435 0.561 . . . . 0.0 110.544 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.5 t -65.07 -44.81 87.74 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.109 0.964 . . . . 0.0 111.297 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -58.37 -44.85 89.03 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.664 0.785 . . . . 0.0 110.722 175.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -63.22 -44.83 94.2 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.061 0.944 . . . . 0.0 110.915 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.65 -44.78 85.89 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.498 0.719 . . . . 0.0 110.674 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.87 37.73 0.38 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 124.463 1.03 . . . . 0.0 112.254 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.54 153.69 21.8 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 174.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 m -65.25 153.87 39.8 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.24 0.616 . . . . 0.0 110.624 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -54.78 -55.18 32.92 Favored 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 123.697 0.799 . . . . 0.0 110.706 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.75 -46.95 81.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.098 0.959 . . . . 0.0 111.524 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -63.28 -51.96 63.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.065 0.546 . . . . 0.0 110.999 -175.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.1 m -59.37 -42.55 91.87 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.226 1.01 . . . . 0.0 111.474 176.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.47 -51.28 68.09 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.914 0.485 . . . . 0.0 110.241 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -56.31 -51.07 69.57 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.121 0.969 . . . . 0.0 111.192 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.3 tp -53.44 -42.65 67.35 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.533 1.133 . . . . 0.0 111.097 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.0 p -79.68 -35.08 39.66 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.375 0.67 . . . . 0.0 112.029 -176.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.33 -0.52 18.79 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.851 1.691 . . . . 0.0 112.497 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.6 m -82.7 156.98 23.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.754 1.222 . . . . 0.0 110.834 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -106.38 140.27 39.57 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.636 1.174 . . . . 0.0 109.165 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.4 mm -109.06 119.0 57.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.149 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 162.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.9 pt -134.25 138.39 50.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -93.07 34.26 1.13 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.549 1.14 . . . . 0.0 110.97 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.97 7.99 45.46 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.798 1.239 . . . . 0.0 111.74 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 t 47.44 36.56 5.16 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.29 1.436 . . . . 0.0 111.789 -173.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.0 m -146.23 164.13 33.27 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.517 1.527 . . . . 0.0 107.664 -175.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 89.5 m -142.87 143.37 25.15 Favored Pre-proline 0 CA--C 1.531 0.248 0 C-N-CA 124.997 1.319 . . . . 0.0 108.224 168.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -80.02 165.19 21.96 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.168 2.579 . . . . 0.0 110.959 -178.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 t -74.97 68.3 1.79 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.827 1.251 . . . . 0.0 110.476 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -152.63 -36.15 0.11 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.955 1.702 . . . . 0.0 110.287 -175.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -124.81 81.41 61.59 Favored Pre-proline 0 CA--C 1.536 0.406 0 C-N-CA 124.632 1.173 . . . . 0.0 109.568 -173.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.8 -9.49 12.03 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.176 2.584 . . . . 0.0 114.664 -167.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? . . . . . 0 C--O 1.247 0.947 0 CA-C-O 117.752 -1.118 . . . . 0.0 108.324 174.015 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp . . . . . 0 N--CA 1.473 0.676 0 CA-C-O 119.646 -0.216 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -85.39 135.97 33.65 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 124.003 0.921 . . . . 0.0 111.041 -174.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.5 m -147.98 128.44 14.02 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.14 0.976 . . . . 0.0 109.737 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.7 m -116.56 156.28 47.77 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 125.435 1.494 . . . . 0.0 111.043 -172.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.28 -37.17 8.27 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.843 3.029 . . . . 0.0 111.257 173.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -159.02 170.22 22.57 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 121.509 0.671 . . . . 0.0 111.616 -171.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.8 m -64.41 -34.6 78.57 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.593 1.557 . . . . 0.0 112.083 -176.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 m -65.67 -37.32 86.17 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.459 0.572 . . . . 0.0 109.626 176.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.94 -52.63 45.25 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 170.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -55.3 -45.4 76.27 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 117.619 0.709 . . . . 0.0 111.66 175.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -57.06 -52.99 63.07 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.233 0.47 . . . . 0.0 110.98 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -59.88 -47.34 91.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 122.891 0.476 . . . . 0.0 109.93 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -54.74 -52.87 61.19 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.879 1.272 . . . . 0.0 111.294 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -63.22 -44.4 95.39 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 124.237 1.015 . . . . 0.0 111.501 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.9 m -61.7 -45.76 92.58 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.086 0.403 . . . . 0.0 110.524 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -62.26 -46.64 87.92 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.091 0.956 . . . . 0.0 111.199 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -57.38 -47.73 80.9 Favored 'General case' 0 C--O 1.231 0.101 0 C-N-CA 123.772 0.829 . . . . 0.0 110.721 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -61.91 -43.47 98.77 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.245 1.018 . . . . 0.0 110.973 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.54 -43.72 89.34 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.246 0.618 . . . . 0.0 110.75 175.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.5 -7.95 1.35 Allowed Glycine 0 CA--C 1.529 0.943 0 CA-C-O 119.05 -0.861 . . . . 0.0 113.778 172.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.1 145.54 50.11 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-N 118.77 1.285 . . . . 0.0 111.795 -174.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -62.08 156.15 22.24 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.082 0.953 . . . . 0.0 111.239 -177.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -55.82 -54.46 44.21 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 122.836 0.454 . . . . 0.0 111.398 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -56.42 -50.82 70.53 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.659 0.784 . . . . 0.0 110.809 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -57.64 -51.08 70.96 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.952 0.901 . . . . 0.0 111.084 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.7 m -62.35 -39.78 94.22 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.036 0.934 . . . . 0.0 111.708 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.48 81.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -56.22 -55.15 36.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.901 0.88 . . . . 0.0 110.442 176.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.6 tp -52.13 -43.83 64.21 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.154 1.382 . . . . 0.0 111.696 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.6 p -78.59 -30.22 46.53 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.486 0.714 . . . . 0.0 112.286 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.69 22.17 24.44 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 124.852 1.215 . . . . 0.0 111.902 -174.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.4 m -97.51 165.26 12.08 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.223 1.409 . . . . 0.0 109.722 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -121.73 132.38 54.59 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.102 1.361 . . . . 0.0 110.29 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 mm -111.41 126.65 68.82 Favored 'Isoleucine or valine' 0 C--N 1.342 0.243 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 169.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 pt -134.47 143.77 36.94 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-N 118.552 0.614 . . . . 0.0 110.218 169.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.6 t -91.85 43.09 1.12 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.558 1.143 . . . . 0.0 110.172 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.99 6.47 38.86 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.469 1.108 . . . . 0.0 111.561 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.5 t 48.69 36.15 7.35 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.912 1.285 . . . . 0.0 110.81 -167.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.9 m -154.9 175.52 13.68 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.877 2.071 . . . . 0.0 106.448 -170.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 56.5 m -135.21 154.42 78.82 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 124.409 1.083 . . . . 0.0 110.511 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.96 174.91 10.52 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.696 2.931 . . . . 0.0 112.706 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -22.93 -64.99 0.04 OUTLIER 'General case' 0 C--N 1.343 0.292 0 C-N-CA 128.907 2.883 . . . . 0.0 115.633 -167.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -150.16 83.98 1.38 Allowed 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.508 0.594 . . . . 0.0 110.88 -175.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -134.37 65.95 69.36 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 124.831 1.252 . . . . 0.0 109.217 171.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -85.26 11.15 3.46 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.449 2.099 . . . . 0.0 113.197 -173.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.112 0.965 . . . . 0.0 110.797 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.3 pttt . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m -79.88 144.64 33.25 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.669 0.788 . . . . 0.0 109.343 172.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.4 m -144.59 122.28 11.86 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 124.458 1.103 . . . . 0.0 109.111 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.1 m -118.52 154.26 52.3 Favored Pre-proline 0 CA--C 1.533 0.3 0 C-N-CA 126.222 1.809 . . . . 0.0 110.832 -172.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -64.19 -38.76 34.13 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.961 3.107 . . . . 0.0 111.646 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -160.51 174.89 13.4 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.54 0.686 . . . . 0.0 111.117 -169.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.8 m -61.43 -35.43 77.53 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.547 1.539 . . . . 0.0 111.477 -177.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.0 m -64.98 -39.39 93.4 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.325 0.511 . . . . 0.0 110.236 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.28 -51.34 56.68 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -55.87 -47.33 77.55 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 117.079 0.439 . . . . 0.0 111.379 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -55.85 -51.61 66.93 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.372 0.669 . . . . 0.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.78 -47.37 88.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -52.07 -53.47 41.92 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.437 1.095 . . . . 0.0 111.037 177.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -60.68 -44.57 96.33 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.312 1.045 . . . . 0.0 111.503 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.7 m -61.19 -46.77 89.1 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.44 0.564 . . . . 0.0 110.559 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.1 t -61.72 -43.4 98.93 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.447 1.099 . . . . 0.0 111.271 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -61.02 -42.4 98.38 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.394 0.678 . . . . 0.0 110.888 175.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -63.11 -43.09 99.43 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.934 0.893 . . . . 0.0 110.505 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.61 -45.77 92.75 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.641 0.776 . . . . 0.0 110.869 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.85 29.49 0.81 Allowed Glycine 0 CA--C 1.528 0.853 0 C-N-CA 124.28 0.943 . . . . 0.0 112.859 171.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.09 151.27 31.45 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 173.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -61.12 151.35 31.37 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.506 0.723 . . . . 0.0 110.594 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -54.86 -57.13 12.85 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.78 -36.6 84.42 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 119.233 -0.413 . . . . 0.0 111.908 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -61.58 -50.55 72.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.307 0.503 . . . . 0.0 110.447 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.0 m -60.66 -40.21 91.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.276 1.03 . . . . 0.0 111.654 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.84 -55.74 26.74 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -53.71 -51.01 64.65 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.46 1.104 . . . . 0.0 111.599 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.0 tp -51.71 -47.39 63.98 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.428 1.491 . . . . 0.0 110.963 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.3 p -77.3 -26.34 52.19 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.322 0.649 . . . . 0.0 112.288 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.24 19.52 20.87 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.01 1.29 . . . . 0.0 112.096 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 29.9 m -97.97 165.78 11.75 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.888 1.675 . . . . 0.0 109.684 173.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -114.34 171.14 7.8 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 124.197 0.999 . . . . 0.0 110.198 165.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.6 mt -137.08 133.54 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 166.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.9 pt -142.95 152.12 17.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.111 0.964 . . . . 0.0 109.616 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.8 p -91.96 16.76 10.39 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.145 0.978 . . . . 0.0 111.737 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.14 -22.13 39.28 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.643 0.777 . . . . 0.0 111.758 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t 74.59 -35.28 0.29 Allowed 'General case' 0 C--N 1.345 0.376 0 C-N-CA 127.204 2.202 . . . . 0.0 112.589 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.7 m -102.27 129.55 48.72 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 125.41 1.484 . . . . 0.0 107.766 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.2 m -111.85 151.23 43.33 Favored Pre-proline 0 CA--C 1.532 0.258 0 C-N-CA 125.544 1.538 . . . . 0.0 109.039 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.9 159.99 51.29 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.056 2.504 . . . . 0.0 111.196 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.1 m -73.98 66.26 1.16 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.16 1.384 . . . . 0.0 110.34 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -155.4 -34.69 0.09 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 127.314 2.246 . . . . 0.0 109.364 -173.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -116.91 74.47 6.87 Favored Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 125.061 1.344 . . . . 0.0 108.635 174.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -77.6 -8.92 17.22 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.782 2.988 . . . . 0.0 114.429 -170.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? . . . . . 0 C--O 1.248 1.004 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 177.257 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.5 pttp . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m 60.49 98.04 0.03 OUTLIER 'General case' 0 C--N 1.342 0.279 0 C-N-CA 125.465 1.506 . . . . 0.0 112.751 172.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.0 m -132.13 132.62 43.42 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.641 0.777 . . . . 0.0 110.5 -172.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.3 m -114.88 156.54 44.94 Favored Pre-proline 0 CA--C 1.529 0.138 0 C-N-CA 125.033 1.333 . . . . 0.0 110.593 -177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -66.38 -45.1 5.64 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.663 2.242 . . . . 0.0 111.181 176.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -161.81 178.02 9.33 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.05 0.54 . . . . 0.0 111.151 -168.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 m -60.31 -36.7 78.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.457 1.503 . . . . 0.0 111.844 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -69.25 -38.16 78.31 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.98 -52.38 51.57 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 171.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -55.18 -48.09 74.3 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.051 0.54 . . . . 0.0 110.863 175.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -55.44 -52.64 62.94 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.275 0.63 . . . . 0.0 110.981 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.0 mt -57.99 -46.71 87.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 123.059 0.543 . . . . 0.0 109.976 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.17 -52.3 66.14 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.787 0.835 . . . . 0.0 111.398 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -61.04 -45.26 95.51 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.438 1.095 . . . . 0.0 111.41 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 92.5 m -60.44 -47.62 85.32 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.926 0.49 . . . . 0.0 110.495 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.5 t -60.02 -47.44 85.82 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.13 0.972 . . . . 0.0 111.063 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -59.91 -45.79 91.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.804 0.842 . . . . 0.0 111.118 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -63.51 -44.97 92.76 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.747 0.819 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.92 79.72 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.558 0.743 . . . . 0.0 110.673 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 143.5 -1.07 1.33 Allowed Glycine 0 CA--C 1.529 0.948 0 CA-C-O 119.004 -0.887 . . . . 0.0 113.636 170.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.55 141.25 43.87 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 118.732 1.266 . . . . 0.0 111.019 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.9 m -62.06 155.13 24.84 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.697 0.799 . . . . 0.0 111.07 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -52.82 -55.59 21.89 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 123.438 0.695 . . . . 0.0 112.319 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -66.96 -34.35 77.56 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.003 0.521 . . . . 0.0 112.134 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -61.96 -52.19 65.01 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.3 m -60.81 -36.36 78.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.114 0.966 . . . . 0.0 111.804 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.49 -52.24 64.32 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 124.077 0.951 . . . . 0.0 110.033 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -58.99 -52.4 65.94 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.93 0.892 . . . . 0.0 110.512 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 tp -54.92 -43.57 73.44 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.74 1.216 . . . . 0.0 111.656 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.8 p -78.1 -39.23 42.11 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.009 0.924 . . . . 0.0 111.53 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.7 -2.14 49.01 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 124.733 1.158 . . . . 0.0 111.605 -169.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.1 m -74.74 153.82 38.65 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 119.124 1.462 . . . . 0.0 110.511 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -101.97 115.86 31.44 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.285 1.434 . . . . 0.0 107.799 174.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.6 mm -111.6 104.77 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.7 pt -135.1 143.22 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.554 1.141 . . . . 0.0 108.478 172.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.0 p -93.02 30.55 1.59 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.595 1.158 . . . . 0.0 111.221 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -87.96 8.72 25.04 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.293 1.037 . . . . 0.0 111.931 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.5 t 50.33 31.83 5.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.347 1.459 . . . . 0.0 111.784 -171.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.0 m -151.36 165.03 35.33 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.869 1.668 . . . . 0.0 107.703 -173.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 85.1 m -144.88 153.67 54.22 Favored Pre-proline 0 CA--C 1.535 0.366 0 C-N-CA 125.033 1.333 . . . . 0.0 108.297 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -64.73 134.27 40.02 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 122.358 2.039 . . . . 0.0 108.357 164.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.7 t -75.61 68.45 2.22 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.891 0.877 . . . . 0.0 111.717 -172.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -146.83 19.12 1.28 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.874 1.269 . . . . 0.0 110.739 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -145.27 78.88 11.98 Favored Pre-proline 0 C--N 1.341 0.218 0 C-N-CA 124.152 0.981 . . . . 0.0 109.363 -170.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -89.06 40.52 0.51 Allowed 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 123.199 2.599 . . . . 0.0 112.608 -168.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.215 0 C-N-CA 124.626 1.17 . . . . 0.0 110.87 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 m -91.75 127.84 37.36 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.267 1.027 . . . . 0.0 109.112 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.3 m -139.76 125.37 19.3 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 123.957 0.903 . . . . 0.0 109.761 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.2 m -118.67 153.96 52.45 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 124.557 1.143 . . . . 0.0 111.96 -162.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.98 -36.83 12.09 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.579 2.852 . . . . 0.0 111.686 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -166.57 177.03 6.88 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.647 0.779 . . . . 0.0 110.517 -169.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.5 m -63.04 -37.47 87.33 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.086 1.354 . . . . 0.0 111.853 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.1 m -68.21 -38.25 81.74 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.221 0.464 . . . . 0.0 109.937 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.73 -53.09 44.13 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 171.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -52.68 -49.59 64.98 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 117.3 0.55 . . . . 0.0 111.478 174.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -56.49 -51.85 66.94 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.034 0.534 . . . . 0.0 111.138 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.2 mt -61.31 -45.29 98.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 123.185 0.594 . . . . 0.0 110.204 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -57.11 -53.05 62.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.689 0.796 . . . . 0.0 110.841 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -62.93 -38.86 92.69 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.081 0.952 . . . . 0.0 111.627 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 92.5 m -58.82 -50.69 73.04 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.979 0.512 . . . . 0.0 110.14 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.2 t -64.32 -38.92 92.74 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.191 0.996 . . . . 0.0 111.489 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -63.31 -44.01 96.19 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.604 0.762 . . . . 0.0 111.159 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -63.12 -48.78 77.08 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 123.455 0.702 . . . . 0.0 110.813 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.57 83.38 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.269 0.627 . . . . 0.0 110.292 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.56 60.43 0.54 Allowed Glycine 0 C--N 1.339 0.707 0 C-N-CA 124.557 1.075 . . . . 0.0 111.04 171.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.56 177.25 34.47 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 165.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -75.13 148.72 39.43 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 173.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -52.22 -54.64 28.52 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 123.793 0.837 . . . . 0.0 111.101 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.91 -39.85 95.13 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.151 0.98 . . . . 0.0 112.137 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -65.21 -47.63 76.19 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.682 0.793 . . . . 0.0 110.86 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.6 m -61.79 -39.31 91.28 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.078 0.951 . . . . 0.0 111.413 175.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.49 82.79 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.354 0.662 . . . . 0.0 110.394 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -58.23 -51.48 69.6 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.461 0.704 . . . . 0.0 111.133 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.5 tp -51.67 -50.14 60.99 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.966 0.907 . . . . 0.0 110.623 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.2 p -75.18 -34.11 61.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.739 0.815 . . . . 0.0 112.055 -172.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.5 -22.72 13.0 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.684 1.135 . . . . 0.0 111.213 -170.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.1 m -64.62 163.71 13.24 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.561 1.18 . . . . 0.0 112.619 -173.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -108.15 150.03 27.74 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 126.369 1.868 . . . . 0.0 109.554 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.0 mm -126.81 103.8 11.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 125.77 1.628 . . . . 0.0 107.149 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.2 pt -135.83 149.02 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 118.408 0.549 . . . . 0.0 110.858 171.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.3 p -100.94 38.39 1.56 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.505 1.522 . . . . 0.0 110.767 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.39 -3.87 58.76 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.496 0.718 . . . . 0.0 112.028 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t 54.45 28.17 9.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.027 1.331 . . . . 0.0 111.082 -165.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.8 m -160.1 158.45 30.33 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.106 1.762 . . . . 0.0 106.947 -173.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 69.8 m -141.93 151.57 59.78 Favored Pre-proline 0 CA--C 1.532 0.258 0 C-N-CA 124.015 0.926 . . . . 0.0 110.689 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.28 142.62 80.35 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 123.482 2.788 . . . . 0.0 111.509 174.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.4 m -56.71 -32.1 65.15 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.679 1.592 . . . . 0.0 112.813 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.67 -12.49 6.99 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.147 1.379 . . . . 0.0 113.128 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -120.04 77.29 23.62 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 124.877 1.271 . . . . 0.0 108.384 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -76.65 -19.81 14.23 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.702 2.935 . . . . 0.0 113.183 -170.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.127 -1.416 . . . . 0.0 110.385 -169.906 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.5 pttp . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t 70.03 128.23 0.03 OUTLIER 'General case' 0 C--N 1.343 0.292 0 C-N-CA 125.181 1.392 . . . . 0.0 109.145 -161.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.7 m -143.01 104.21 4.27 Favored 'General case' 0 CA--C 1.528 0.098 0 C-N-CA 122.895 0.478 . . . . 0.0 110.295 -163.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.1 m -107.88 154.47 41.01 Favored Pre-proline 0 CA--C 1.531 0.212 0 C-N-CA 124.734 1.214 . . . . 0.0 110.5 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -76.05 -36.0 2.17 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.086 2.524 . . . . 0.0 111.333 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -151.41 167.04 29.18 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.077 0.951 . . . . 0.0 110.666 -171.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 m -52.65 -38.45 60.42 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.885 1.674 . . . . 0.0 111.402 170.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 m -65.19 -38.98 92.18 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.01 0.524 . . . . 0.0 110.592 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.75 -48.49 85.98 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 173.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -56.34 -45.06 80.57 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 122.922 0.489 . . . . 0.0 111.003 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -57.34 -53.43 58.19 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.205 0.602 . . . . 0.0 111.022 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -59.76 -48.58 87.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.182 0.446 . . . . 0.0 109.834 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -53.95 -52.91 59.14 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.714 1.205 . . . . 0.0 111.442 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -63.01 -42.39 99.81 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.57 1.148 . . . . 0.0 111.681 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.8 m -61.79 -46.25 90.34 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.265 0.484 . . . . 0.0 110.44 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.9 t -63.38 -45.61 90.32 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.925 0.89 . . . . 0.0 111.4 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -56.28 -47.49 78.52 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.007 0.923 . . . . 0.0 110.533 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.05 -42.7 99.79 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.084 0.954 . . . . 0.0 111.042 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.73 85.38 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.208 0.603 . . . . 0.0 110.785 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 139.73 8.86 0.9 Allowed Glycine 0 CA--C 1.53 0.98 0 CA-C-O 119.117 -0.824 . . . . 0.0 113.432 171.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.28 147.78 39.75 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 118.759 1.279 . . . . 0.0 110.489 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.1 m -63.73 157.86 23.15 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.558 0.743 . . . . 0.0 110.848 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -54.15 -54.6 37.42 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 123.422 0.689 . . . . 0.0 110.852 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -57.28 -48.15 79.62 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.813 0.845 . . . . 0.0 111.341 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -60.71 -51.56 68.86 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.841 0.856 . . . . 0.0 111.155 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.5 m -62.09 -38.95 90.81 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.295 1.038 . . . . 0.0 111.675 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.7 92.94 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 122.576 0.35 . . . . 0.0 110.295 176.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -59.96 -48.63 80.9 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.472 0.709 . . . . 0.0 110.822 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.4 tp -55.92 -47.38 77.61 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.298 1.439 . . . . 0.0 111.03 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.8 p -74.71 -37.58 62.55 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.785 0.834 . . . . 0.0 111.897 -176.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.72 -9.41 23.7 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.242 1.401 . . . . 0.0 111.904 -171.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.3 m -70.68 165.95 21.84 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.546 1.173 . . . . 0.0 111.076 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -112.77 154.71 25.79 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.074 1.75 . . . . 0.0 109.397 173.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.4 mm -119.47 114.74 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 125.248 1.419 . . . . 0.0 107.963 171.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 pt -132.87 144.06 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.224 1.009 . . . . 0.0 108.444 167.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 m -99.42 30.1 3.7 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.43 1.092 . . . . 0.0 111.037 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.56 -0.73 57.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.165 0.986 . . . . 0.0 112.6 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t 55.25 36.83 27.88 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.908 1.283 . . . . 0.0 111.183 -170.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.5 m -151.84 169.41 22.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.246 1.418 . . . . 0.0 108.143 -174.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 69.1 m -139.86 149.34 58.73 Favored Pre-proline 0 CA--C 1.53 0.184 0 C-N-CA 125.056 1.342 . . . . 0.0 109.259 170.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.28 159.09 40.72 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 123.018 2.479 . . . . 0.0 110.523 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -73.88 71.88 1.54 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.548 1.139 . . . . 0.0 109.502 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -171.02 -42.19 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.978 1.711 . . . . 0.0 109.358 -174.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -114.94 78.24 5.29 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 125.485 1.514 . . . . 0.0 109.304 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.16 -23.9 17.58 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 123.275 2.65 . . . . 0.0 114.725 -167.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.52 -1.229 . . . . 0.0 108.45 -178.719 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.0 pttt . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 p 64.7 119.43 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.786 2.035 . . . . 0.0 111.6 -172.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.9 m -147.92 133.0 18.26 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 122.7 0.4 . . . . 0.0 110.878 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.1 m -111.8 158.42 36.69 Favored Pre-proline 0 CA--C 1.531 0.245 0 C-N-CA 126.003 1.721 . . . . 0.0 110.525 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.18 -36.48 36.48 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.973 2.449 . . . . 0.0 111.306 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -165.82 175.85 8.39 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.144 0.977 . . . . 0.0 110.166 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.3 m -56.32 -39.87 73.47 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.621 1.568 . . . . 0.0 111.663 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 m -65.07 -35.85 82.46 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.47 0.308 . . . . 0.0 110.364 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.55 -52.33 48.78 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 170.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -57.73 -45.15 86.18 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 117.422 0.611 . . . . 0.0 111.211 176.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -56.71 -52.47 64.83 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.862 0.465 . . . . 0.0 111.061 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.08 -45.8 95.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.209 0.604 . . . . 0.0 110.045 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -55.56 -55.76 28.25 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.891 0.876 . . . . 0.0 110.718 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -57.53 -48.74 78.48 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.964 0.906 . . . . 0.0 110.783 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.7 m -54.9 -40.5 69.86 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.307 0.503 . . . . 0.0 110.778 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.7 t -66.77 -35.92 81.2 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.77 0.828 . . . . 0.0 112.284 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -60.33 -50.89 71.82 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.632 0.651 . . . . 0.0 110.637 171.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -59.01 -39.93 83.37 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.384 0.674 . . . . 0.0 111.461 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.09 99.7 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.307 0.643 . . . . 0.0 110.773 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.09 49.52 0.77 Allowed Glycine 0 C--N 1.339 0.737 0 C-N-CA 124.341 0.972 . . . . 0.0 111.823 172.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.37 -162.13 28.49 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 166.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.5 p -98.2 159.04 15.2 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 162.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -53.48 -45.06 69.45 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.39 0.276 . . . . 0.0 111.245 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.2 -52.23 63.13 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.494 0.718 . . . . 0.0 111.086 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -57.84 -44.97 86.83 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.938 0.495 . . . . 0.0 110.999 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.3 m -61.14 -38.27 85.79 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.26 0.624 . . . . 0.0 111.713 175.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.75 -54.61 44.93 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.221 0.609 . . . . 0.0 110.185 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -54.83 -54.02 47.73 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.281 0.632 . . . . 0.0 111.214 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.3 tp -53.62 -47.45 70.23 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.998 1.319 . . . . 0.0 111.429 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.5 p -74.03 -34.5 64.13 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.71 0.804 . . . . 0.0 111.747 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.81 -7.75 53.48 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.677 1.132 . . . . 0.0 111.453 -170.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.6 m -72.53 160.05 32.93 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 118.515 1.157 . . . . 0.0 110.578 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -102.9 135.86 43.8 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.652 1.181 . . . . 0.0 108.52 171.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.5 mm -116.88 109.79 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 166.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.4 pt -135.32 144.0 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.534 1.134 . . . . 0.0 108.448 172.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.2 m -96.37 33.12 1.84 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.399 1.08 . . . . 0.0 110.97 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.44 7.54 35.49 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.034 0.934 . . . . 0.0 112.064 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t 51.98 28.89 5.6 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.017 1.327 . . . . 0.0 111.617 -170.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.8 m -152.6 164.86 36.85 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.538 1.535 . . . . 0.0 108.037 -168.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.2 m -140.99 149.05 54.61 Favored Pre-proline 0 CA--C 1.531 0.248 0 C-N-CA 125.533 1.533 . . . . 0.0 107.876 169.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -73.77 156.97 48.4 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.521 2.147 . . . . 0.0 109.871 174.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.6 t -74.7 71.63 1.94 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.998 0.919 . . . . 0.0 110.251 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -149.1 -39.72 0.15 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.968 1.707 . . . . 0.0 109.834 -178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -114.05 103.9 55.04 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 124.971 1.309 . . . . 0.0 108.689 -177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.65 -20.0 5.87 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.981 2.454 . . . . 0.0 113.426 -171.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.347 -1.311 . . . . 0.0 109.76 -173.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt . . . . . 0 N--CA 1.471 0.619 0 N-CA-C 110.65 -0.13 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -93.38 135.83 34.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.65 1.18 . . . . 0.0 109.284 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.9 m -142.88 117.03 9.49 Favored 'General case' 0 C--N 1.337 0.037 0 C-N-CA 124.769 1.227 . . . . 0.0 108.857 -171.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.7 m -115.83 156.05 46.96 Favored Pre-proline 0 CA--C 1.533 0.3 0 C-N-CA 125.018 1.327 . . . . 0.0 111.516 -172.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -66.83 -39.32 15.02 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.255 2.637 . . . . 0.0 111.54 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -163.56 175.14 10.96 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.133 0.573 . . . . 0.0 110.678 -170.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 m -61.25 -32.31 72.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.428 1.491 . . . . 0.0 112.012 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m -69.63 -37.75 76.92 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.392 0.542 . . . . 0.0 110.077 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.56 -49.91 69.61 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 172.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -54.85 -46.94 74.74 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.933 0.493 . . . . 0.0 111.056 174.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.33 -53.16 61.29 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 119.167 -0.444 . . . . 0.0 111.112 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -58.35 -48.56 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 122.982 0.513 . . . . 0.0 109.834 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -54.21 -55.74 25.06 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.328 1.051 . . . . 0.0 111.008 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -60.17 -43.16 96.06 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.091 0.956 . . . . 0.0 111.998 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.5 m -62.38 -45.42 93.22 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.33 0.514 . . . . 0.0 110.519 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.9 t -64.12 -44.67 91.53 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.619 0.768 . . . . 0.0 111.126 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -57.34 -46.21 83.53 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.701 0.8 . . . . 0.0 110.67 175.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.97 -45.79 93.36 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.079 0.952 . . . . 0.0 111.022 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.51 80.55 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.408 0.683 . . . . 0.0 110.979 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.48 30.82 1.03 Allowed Glycine 0 C--N 1.34 0.78 0 C-N-CA 124.565 1.079 . . . . 0.0 112.105 171.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.17 149.68 24.16 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 173.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.1 m -61.06 151.64 30.31 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.267 0.627 . . . . 0.0 110.773 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -53.31 -55.29 25.95 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 123.766 0.826 . . . . 0.0 111.096 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -56.64 -47.76 79.02 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.112 0.965 . . . . 0.0 110.944 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -61.77 -49.58 75.81 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.743 0.817 . . . . 0.0 111.529 -176.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.3 m -60.97 -41.35 96.21 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.993 0.917 . . . . 0.0 111.374 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.01 95.91 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.72 0.408 . . . . 0.0 110.295 177.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -58.98 -49.98 75.81 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.868 0.867 . . . . 0.0 110.868 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.4 tp -55.76 -44.81 77.99 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.876 1.271 . . . . 0.0 111.179 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.5 p -76.39 -33.63 58.87 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.84 0.856 . . . . 0.0 112.122 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.94 11.78 42.11 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.306 1.431 . . . . 0.0 112.12 -173.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.0 m -84.5 158.72 20.9 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.227 1.011 . . . . 0.0 109.96 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.14 135.79 53.42 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 125.385 1.474 . . . . 0.0 109.237 175.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.4 mm -108.4 113.21 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.6 pt -141.55 134.74 29.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 C-N-CA 123.133 0.573 . . . . 0.0 109.636 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -89.24 9.99 23.79 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.405 1.082 . . . . 0.0 112.444 -171.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.71 -4.08 35.3 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.727 0.811 . . . . 0.0 112.473 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t 52.29 30.05 7.48 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.527 1.531 . . . . 0.0 111.601 -172.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -149.77 144.79 26.25 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 126.343 1.857 . . . . 0.0 106.408 -174.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 99.4 m -142.6 145.64 35.18 Favored Pre-proline 0 CA--C 1.532 0.252 0 C-N-CA 124.23 1.012 . . . . 0.0 109.537 -177.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.32 168.39 24.7 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 123.068 2.512 . . . . 0.0 111.703 -176.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.1 m -74.16 64.17 1.05 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.383 1.473 . . . . 0.0 111.01 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -143.73 -38.26 0.32 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 126.573 1.949 . . . . 0.0 109.49 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -126.25 72.09 71.33 Favored Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 124.408 1.083 . . . . 0.0 110.717 -172.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -80.43 -11.52 13.05 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.158 2.572 . . . . 0.0 113.005 -175.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 116.963 -1.494 . . . . 0.0 111.42 -169.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -94.45 145.79 24.54 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.588 1.155 . . . . 0.0 108.791 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.4 m -146.23 111.75 5.52 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.701 1.2 . . . . 0.0 108.901 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.7 m -108.46 159.26 31.46 Favored Pre-proline 0 CA--C 1.531 0.223 0 C-N-CA 125.142 1.377 . . . . 0.0 110.951 -174.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -63.7 -38.94 37.28 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 123.181 2.588 . . . . 0.0 111.809 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -168.19 -177.86 3.44 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.025 0.53 . . . . 0.0 111.115 -172.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.3 m -57.21 -36.79 71.3 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.068 1.747 . . . . 0.0 111.969 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -71.67 -39.09 70.51 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.291 0.496 . . . . 0.0 109.735 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.67 -49.94 59.48 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 171.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -56.54 -47.62 79.02 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.006 173.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -55.3 -49.75 71.35 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.78 0.718 . . . . 0.0 111.391 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.22 -48.3 89.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 123.111 0.564 . . . . 0.0 109.982 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -55.51 -53.66 53.63 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.498 1.119 . . . . 0.0 111.236 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -62.07 -47.2 85.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.453 1.101 . . . . 0.0 110.933 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 83.3 m -57.08 -47.15 81.72 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.766 0.426 . . . . 0.0 110.38 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 t -62.58 -42.28 99.46 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.79 0.836 . . . . 0.0 111.616 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -60.12 -45.9 91.44 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.208 0.603 . . . . 0.0 110.995 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -63.42 -41.56 98.7 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.122 0.569 . . . . 0.0 111.106 175.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.61 -44.23 85.32 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.038 0.535 . . . . 0.0 110.728 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.73 -25.06 0.83 Allowed Glycine 0 CA--C 1.529 0.956 0 CA-C-O 119.34 -0.7 . . . . 0.0 113.091 172.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.03 148.51 36.07 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 117.861 0.83 . . . . 0.0 112.72 -169.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.0 m -64.02 159.59 19.8 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.552 1.141 . . . . 0.0 111.642 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -54.33 -57.17 12.26 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 123.726 0.811 . . . . 0.0 111.316 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -58.57 -46.05 87.73 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.581 0.752 . . . . 0.0 110.644 -178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -58.78 -54.2 49.72 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.441 1.096 . . . . 0.0 110.601 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.11 -41.01 95.91 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.997 0.919 . . . . 0.0 111.499 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.85 91.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.379 0.671 . . . . 0.0 110.108 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -60.88 -51.63 68.5 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.585 0.754 . . . . 0.0 110.371 175.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.3 tp -53.2 -46.2 68.93 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.712 1.205 . . . . 0.0 111.162 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.8 p -77.2 -36.39 54.91 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.228 1.011 . . . . 0.0 111.837 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.09 18.6 19.28 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.654 1.597 . . . . 0.0 111.854 -174.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.5 m -84.83 161.75 19.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.48 1.112 . . . . 0.0 110.161 173.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -105.03 150.26 25.11 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 125.116 1.367 . . . . 0.0 108.806 171.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.7 mm -122.0 101.49 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 169.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 pt -138.67 133.77 42.31 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 123.475 0.71 . . . . 0.0 109.546 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 t -100.01 38.1 1.53 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.99 0.916 . . . . 0.0 110.666 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.6 -2.12 57.83 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.912 0.885 . . . . 0.0 112.049 176.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t 56.36 25.95 10.08 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.105 1.362 . . . . 0.0 111.689 -171.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.6 m -156.49 147.93 22.49 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 126.261 1.824 . . . . 0.0 107.013 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 60.8 m -139.1 146.92 51.43 Favored Pre-proline 0 CA--C 1.53 0.18 0 C-N-CA 124.485 1.114 . . . . 0.0 109.039 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -72.13 163.32 39.08 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 123.13 2.553 . . . . 0.0 111.223 -176.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 m -74.61 65.71 1.34 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.241 1.417 . . . . 0.0 111.26 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -145.87 -37.31 0.26 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.652 1.981 . . . . 0.0 109.497 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -120.55 81.42 31.81 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 125.018 1.327 . . . . 0.0 109.798 -174.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.03 -16.87 22.62 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 123.496 2.798 . . . . 0.0 113.478 -174.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.825 -1.083 . . . . 0.0 109.26 -173.363 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m 67.35 102.24 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.887 1.675 . . . . 0.0 111.554 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.6 m -141.68 137.3 31.65 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.649 0.78 . . . . 0.0 111.271 -166.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 71.2 m -118.79 156.81 51.42 Favored Pre-proline 0 CA--C 1.532 0.251 0 C-N-CA 125.48 1.512 . . . . 0.0 111.019 -173.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.92 -35.3 3.31 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.002 2.468 . . . . 0.0 111.344 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -149.22 166.2 29.58 Favored 'General case' 0 C--N 1.342 0.264 0 C-N-CA 123.83 0.852 . . . . 0.0 111.221 -171.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 m -61.52 -32.73 72.79 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.769 1.228 . . . . 0.0 110.42 172.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.6 m -62.71 -39.01 92.7 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.012 0.525 . . . . 0.0 110.049 172.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.17 -50.11 71.33 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 173.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -56.79 -44.15 81.6 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 117.202 0.501 . . . . 0.0 111.412 175.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.59 -54.2 49.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.591 0.756 . . . . 0.0 110.892 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.17 -45.74 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 122.737 0.415 . . . . 0.0 110.025 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -55.79 -52.59 63.45 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.19 0.996 . . . . 0.0 110.968 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -62.03 -42.72 99.47 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.308 1.043 . . . . 0.0 111.768 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.4 m -60.57 -46.82 88.81 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.206 0.457 . . . . 0.0 110.336 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.1 t -65.3 -37.94 88.68 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.068 0.947 . . . . 0.0 111.541 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -44.48 95.98 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.814 0.845 . . . . 0.0 110.69 174.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -64.59 -43.68 93.03 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.534 0.734 . . . . 0.0 110.981 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.26 -44.47 92.4 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.547 0.739 . . . . 0.0 110.517 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.49 41.33 0.81 Allowed Glycine 0 C--N 1.339 0.721 0 C-N-CA 124.551 1.072 . . . . 0.0 112.366 170.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.56 175.06 55.03 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 166.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.8 m -78.14 151.08 33.49 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 117.884 0.842 . . . . 0.0 109.647 173.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -53.83 -54.4 38.95 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 123.376 0.67 . . . . 0.0 111.418 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -57.56 -47.53 81.79 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.477 0.711 . . . . 0.0 111.063 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -60.21 -51.98 67.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.787 0.835 . . . . 0.0 110.634 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 89.8 m -56.87 -40.9 77.03 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.326 1.05 . . . . 0.0 111.622 175.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.55 77.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 122.873 0.469 . . . . 0.0 110.777 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.86 -52.02 65.52 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.103 0.561 . . . . 0.0 111.067 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.0 tp -52.23 -45.4 65.27 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.536 1.135 . . . . 0.0 110.953 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.2 p -77.29 -33.32 55.8 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.918 0.887 . . . . 0.0 112.417 -176.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.36 -1.01 31.01 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.32 1.438 . . . . 0.0 112.374 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.5 m -80.86 161.02 24.61 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.359 1.079 . . . . 0.0 111.013 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -106.91 147.17 30.13 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.899 1.68 . . . . 0.0 108.952 175.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.6 mm -124.74 107.77 18.93 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 C-N-CA 125.16 1.384 . . . . 0.0 107.398 170.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.7 pt -133.05 140.91 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 170.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 m -97.31 35.21 1.65 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.392 1.077 . . . . 0.0 110.822 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.79 3.34 54.66 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.181 0.992 . . . . 0.0 112.316 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t 53.62 33.66 16.98 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.698 1.199 . . . . 0.0 111.415 -171.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.4 m -154.96 162.37 41.11 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.567 1.547 . . . . 0.0 108.198 -174.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 95.1 m -144.46 146.92 34.52 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 125.413 1.485 . . . . 0.0 108.525 169.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.04 163.94 35.58 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.316 2.677 . . . . 0.0 111.02 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.4 t -74.56 65.5 1.3 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.153 1.381 . . . . 0.0 111.028 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -149.69 -29.67 0.24 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.649 1.579 . . . . 0.0 111.156 -175.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -125.53 75.77 69.52 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 124.429 1.092 . . . . 0.0 109.957 -174.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -78.31 -6.91 15.89 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.629 2.219 . . . . 0.0 114.273 -173.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.154 0 CA-C-O 116.775 -1.583 . . . . 0.0 110.204 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 120.031 -0.033 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -75.44 129.23 36.97 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 166.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.9 m -150.73 129.1 12.05 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 123.443 0.697 . . . . 0.0 110.162 -174.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 92.1 m -117.52 154.96 50.77 Favored Pre-proline 0 CA--C 1.534 0.338 0 C-N-CA 126.199 1.799 . . . . 0.0 111.595 -171.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.5 -33.72 6.54 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.656 2.904 . . . . 0.0 111.847 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -143.77 162.3 36.37 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 124.245 1.018 . . . . 0.0 110.31 -170.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.7 m -61.27 -33.93 74.35 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.979 0.912 . . . . 0.0 110.16 170.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.0 m -62.22 -37.73 86.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.466 0.707 . . . . 0.0 110.278 172.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.86 -50.9 62.71 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 173.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -56.69 -44.47 81.5 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 117.166 0.483 . . . . 0.0 111.061 175.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -56.73 -55.79 29.69 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.231 0.612 . . . . 0.0 111.117 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.04 -48.2 88.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 118.293 0.497 . . . . 0.0 109.898 -177.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -51.46 -53.36 37.99 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.572 1.149 . . . . 0.0 111.401 176.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -62.68 -42.88 99.86 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.986 0.914 . . . . 0.0 112.01 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.1 m -62.31 -44.95 95.31 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.435 0.561 . . . . 0.0 110.544 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.5 t -65.07 -44.81 87.74 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.109 0.964 . . . . 0.0 111.297 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -58.37 -44.85 89.03 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.664 0.785 . . . . 0.0 110.722 175.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -63.22 -44.83 94.2 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.061 0.944 . . . . 0.0 110.915 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.65 -44.78 85.89 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.498 0.719 . . . . 0.0 110.674 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.87 37.73 0.38 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 124.463 1.03 . . . . 0.0 112.254 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.54 153.69 21.8 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 174.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 m -65.25 153.87 39.8 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.24 0.616 . . . . 0.0 110.624 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -54.78 -55.18 32.92 Favored 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 123.697 0.799 . . . . 0.0 110.706 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.75 -46.95 81.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.098 0.959 . . . . 0.0 111.524 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -63.28 -51.96 63.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.065 0.546 . . . . 0.0 110.999 -175.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.1 m -59.37 -42.55 91.87 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.226 1.01 . . . . 0.0 111.474 176.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.47 -51.28 68.09 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.914 0.485 . . . . 0.0 110.241 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -56.31 -51.07 69.57 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.121 0.969 . . . . 0.0 111.192 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.3 tp -53.44 -42.65 67.35 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.533 1.133 . . . . 0.0 111.097 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.0 p -79.68 -35.08 39.66 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.375 0.67 . . . . 0.0 112.029 -176.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.33 -0.52 18.79 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.851 1.691 . . . . 0.0 112.497 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.6 m -82.7 156.98 23.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.754 1.222 . . . . 0.0 110.834 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -106.38 140.27 39.57 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.636 1.174 . . . . 0.0 109.165 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.4 mm -109.06 119.0 57.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.149 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 162.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.9 pt -134.25 138.39 50.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -93.07 34.26 1.13 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.549 1.14 . . . . 0.0 110.97 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.97 7.99 45.46 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.798 1.239 . . . . 0.0 111.74 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 t 47.44 36.56 5.16 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.29 1.436 . . . . 0.0 111.789 -173.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.0 m -146.23 164.13 33.27 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.517 1.527 . . . . 0.0 107.664 -175.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 89.5 m -142.87 143.37 25.15 Favored Pre-proline 0 CA--C 1.531 0.248 0 C-N-CA 124.997 1.319 . . . . 0.0 108.224 168.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -80.02 165.19 21.96 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.168 2.579 . . . . 0.0 110.959 -178.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 t -74.97 68.3 1.79 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.827 1.251 . . . . 0.0 110.476 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -152.63 -36.15 0.11 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.955 1.702 . . . . 0.0 110.287 -175.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -124.81 81.41 61.59 Favored Pre-proline 0 CA--C 1.536 0.406 0 C-N-CA 124.632 1.173 . . . . 0.0 109.568 -173.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.8 -9.49 12.03 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.176 2.584 . . . . 0.0 114.664 -167.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? . . . . . 0 C--O 1.247 0.947 0 CA-C-O 117.752 -1.118 . . . . 0.0 108.324 174.015 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp . . . . . 0 N--CA 1.473 0.676 0 CA-C-O 119.646 -0.216 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -85.39 135.97 33.65 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 124.003 0.921 . . . . 0.0 111.041 -174.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.5 m -147.98 128.44 14.02 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.14 0.976 . . . . 0.0 109.737 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.7 m -116.56 156.28 47.77 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 125.435 1.494 . . . . 0.0 111.043 -172.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.28 -37.17 8.27 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.843 3.029 . . . . 0.0 111.257 173.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -159.02 170.22 22.57 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 121.509 0.671 . . . . 0.0 111.616 -171.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.8 m -64.41 -34.6 78.57 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.593 1.557 . . . . 0.0 112.083 -176.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 m -65.67 -37.32 86.17 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.459 0.572 . . . . 0.0 109.626 176.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.94 -52.63 45.25 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 170.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -55.3 -45.4 76.27 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 117.619 0.709 . . . . 0.0 111.66 175.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -57.06 -52.99 63.07 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.233 0.47 . . . . 0.0 110.98 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -59.88 -47.34 91.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 122.891 0.476 . . . . 0.0 109.93 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -54.74 -52.87 61.19 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.879 1.272 . . . . 0.0 111.294 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -63.22 -44.4 95.39 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 124.237 1.015 . . . . 0.0 111.501 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.9 m -61.7 -45.76 92.58 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.086 0.403 . . . . 0.0 110.524 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -62.26 -46.64 87.92 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.091 0.956 . . . . 0.0 111.199 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -57.38 -47.73 80.9 Favored 'General case' 0 C--O 1.231 0.101 0 C-N-CA 123.772 0.829 . . . . 0.0 110.721 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -61.91 -43.47 98.77 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.245 1.018 . . . . 0.0 110.973 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.54 -43.72 89.34 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.246 0.618 . . . . 0.0 110.75 175.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.5 -7.95 1.35 Allowed Glycine 0 CA--C 1.529 0.943 0 CA-C-O 119.05 -0.861 . . . . 0.0 113.778 172.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.1 145.54 50.11 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-N 118.77 1.285 . . . . 0.0 111.795 -174.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -62.08 156.15 22.24 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.082 0.953 . . . . 0.0 111.239 -177.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -55.82 -54.46 44.21 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 122.836 0.454 . . . . 0.0 111.398 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -56.42 -50.82 70.53 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.659 0.784 . . . . 0.0 110.809 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -57.64 -51.08 70.96 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.952 0.901 . . . . 0.0 111.084 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.7 m -62.35 -39.78 94.22 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.036 0.934 . . . . 0.0 111.708 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.48 81.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -56.22 -55.15 36.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.901 0.88 . . . . 0.0 110.442 176.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.6 tp -52.13 -43.83 64.21 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.154 1.382 . . . . 0.0 111.696 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.6 p -78.59 -30.22 46.53 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.486 0.714 . . . . 0.0 112.286 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.69 22.17 24.44 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 124.852 1.215 . . . . 0.0 111.902 -174.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.4 m -97.51 165.26 12.08 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.223 1.409 . . . . 0.0 109.722 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -121.73 132.38 54.59 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.102 1.361 . . . . 0.0 110.29 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 mm -111.41 126.65 68.82 Favored 'Isoleucine or valine' 0 C--N 1.342 0.243 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 169.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 pt -134.47 143.77 36.94 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-N 118.552 0.614 . . . . 0.0 110.218 169.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.6 t -91.85 43.09 1.12 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.558 1.143 . . . . 0.0 110.172 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.99 6.47 38.86 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.469 1.108 . . . . 0.0 111.561 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.5 t 48.69 36.15 7.35 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.912 1.285 . . . . 0.0 110.81 -167.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.9 m -154.9 175.52 13.68 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.877 2.071 . . . . 0.0 106.448 -170.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 56.5 m -135.21 154.42 78.82 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 124.409 1.083 . . . . 0.0 110.511 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.96 174.91 10.52 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.696 2.931 . . . . 0.0 112.706 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -22.93 -64.99 0.04 OUTLIER 'General case' 0 C--N 1.343 0.292 0 C-N-CA 128.907 2.883 . . . . 0.0 115.633 -167.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -150.16 83.98 1.38 Allowed 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.508 0.594 . . . . 0.0 110.88 -175.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -134.37 65.95 69.36 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 124.831 1.252 . . . . 0.0 109.217 171.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -85.26 11.15 3.46 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.449 2.099 . . . . 0.0 113.197 -173.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.112 0.965 . . . . 0.0 110.797 174.856 . . . . . . . . 1 1 . 1 stop_ save_