data_2jr8_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 2jr8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.752 0.31 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -66.93 -34.24 77.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.775 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.77 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.17 -28.92 72.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.344 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -39.8 68.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 110.748 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 t -58.66 -34.28 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.424 HD11 HG21 ' A' ' 15' ' ' ILE . 54.0 mt -64.14 -38.49 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.792 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 -46.43 5.99 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.303 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -35.89 77.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.957 0.408 . . . . 0.0 110.443 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.91 -35.83 65.31 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.831 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -39.31 83.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.792 0.33 . . . . 0.0 110.47 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -27.62 63.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.57 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.38 -42.58 61.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.962 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 mt -64.5 -31.72 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.94 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -68.01 -37.84 81.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.6 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.172 179.821 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.565 0.221 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -70.35 -35.15 73.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.838 0.352 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.27 -34.02 72.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.042 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.52 -28.28 72.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.307 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -41.19 65.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -59.38 -31.54 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.333 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.2 mt -69.79 -41.64 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.05 -34.01 65.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.434 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -32.52 69.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.71 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.2 -37.17 59.71 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.159 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -69.6 -33.93 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.676 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -75.0 -29.8 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.96 61.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 mt -69.63 -27.52 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.935 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.16 -41.46 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.948 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.915 0.388 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -65.02 -38.23 90.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.763 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.14 68.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.21 -28.69 67.71 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.207 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -39.02 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.813 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 t -60.03 -34.3 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.7 mt -71.01 -32.18 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.86 -40.74 6.57 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.417 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -35.53 75.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.745 0.307 . . . . 0.0 110.515 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.25 -37.11 55.1 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.977 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.07 -34.38 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.513 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -74.27 -29.87 61.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.515 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.6 -42.76 58.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.7 mt -66.85 -28.7 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.787 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.43 -41.27 80.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.629 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 179.82 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 mttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.715 0.293 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -33.3 75.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.731 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.15 95.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.794 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.84 -29.56 73.77 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.086 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -70.24 -38.86 75.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.592 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 t -58.78 -28.43 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.94 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.7 mt -60.16 -41.62 87.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.738 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.13 -53.86 7.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.206 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -35.06 73.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.426 . . . . 0.0 110.529 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.23 61.51 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.943 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mt -70.61 -37.68 73.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -28.62 63.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.93 -40.68 60.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.997 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.7 mt -68.4 -30.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.758 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -67.68 -36.18 80.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.665 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.3 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.847 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.725 0.298 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -72.92 -34.22 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.637 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.54 -34.44 72.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.935 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.85 -29.28 71.08 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.201 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -71.71 -40.37 69.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 t -58.25 -30.41 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mt -65.34 -39.49 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.55 -37.09 92.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.297 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -57.74 -38.61 75.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.513 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.1 -38.31 92.26 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.773 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.29 -40.25 96.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.845 0.355 . . . . 0.0 110.423 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -61.88 -35.08 77.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.74 -39.42 66.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.68 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 mt -67.09 -24.43 32.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.849 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -70.55 -43.46 69.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.807 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.049 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.861 0.362 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -72.74 -36.98 67.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.787 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.67 -32.96 70.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.696 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.61 -33.64 76.83 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.146 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -39.46 91.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.755 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 t -58.81 -32.09 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.17 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -72.2 -35.81 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.081 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.17 -27.0 70.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.38 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -44.41 87.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.395 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.61 91.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.986 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -31.39 70.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.637 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -36.81 75.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.77 -42.18 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.709 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.4 mt -67.71 -28.29 41.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.739 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -69.14 -37.84 78.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.825 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.7 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.78 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.677 0.275 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -67.0 -38.08 85.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.72 78.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.13 -25.99 71.94 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.413 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -37.24 33.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 t -58.94 -33.63 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.227 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.2 mt -72.35 -41.59 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.63 -29.71 42.55 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -37.44 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.7 -38.39 67.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.088 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -74.04 -35.24 64.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.835 0.35 . . . . 0.0 110.662 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -31.56 66.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.581 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.34 -42.99 58.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.9 mt -68.54 -25.62 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.0 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -77.29 -44.43 29.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.021 179.913 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 tttm . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.871 0.367 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -60.3 -39.14 85.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.53 -35.81 75.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.611 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.14 -30.91 77.75 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.172 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -43.06 90.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.83 0.348 . . . . 0.0 110.653 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 t -61.06 -34.49 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.062 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.8 mt -63.42 -40.04 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.665 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.35 94.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.105 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -61.9 -42.41 99.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.047 0.451 . . . . 0.0 110.352 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.39 -33.97 73.62 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.699 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.5 -37.4 84.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.786 0.327 . . . . 0.0 110.528 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -59.6 -37.1 77.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.76 -40.09 61.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.437 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mt -68.0 -26.86 35.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.601 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -36.99 83.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.586 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.7 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.792 0.329 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -66.96 -34.08 76.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.739 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.43 86.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.09 -34.16 87.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.152 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -66.88 -38.83 87.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 0.0 110.609 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.43 -28.04 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.64 -41.88 86.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.777 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.94 -52.3 29.35 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.133 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -37.13 77.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.856 0.36 . . . . 0.0 110.376 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.38 -35.55 76.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.791 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tt -68.57 -40.98 80.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.38 . . . . 0.0 110.507 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -29.09 66.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.739 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.69 -41.83 62.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.91 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.8 mt -65.61 -31.44 53.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.714 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -38.15 90.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.605 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.1 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.903 179.812 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.919 0.39 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -66.28 -38.22 87.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.97 81.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.31 -29.92 76.44 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.261 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -45.18 76.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.739 0.304 . . . . 0.0 110.718 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 t -60.56 -37.65 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.052 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.7 mt -73.23 -32.21 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.88 -33.92 28.72 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -35.16 72.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.686 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.77 -37.56 76.01 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.133 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -35.77 78.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.543 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -28.83 62.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.605 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.33 -40.91 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.2 mt -67.52 -29.8 46.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -74.52 -46.12 41.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.669 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.043 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 tttm . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.805 0.336 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -68.61 -35.21 77.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.659 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.62 78.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.76 -27.41 72.42 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.419 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -39.88 30.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.308 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.3 t -58.04 -35.17 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.5 mt -64.96 -33.85 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.755 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.98 -49.08 7.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.351 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -36.01 75.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.548 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.83 -35.11 62.01 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.909 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -35.27 72.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.597 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -70.45 -32.93 70.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.79 -42.7 63.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mt -67.34 -27.9 40.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.851 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -71.46 -42.38 68.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.787 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.015 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -62.45 -31.15 71.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.709 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.33 77.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.27 -29.7 71.86 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.159 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -71.4 -40.85 70.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.691 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -58.7 -34.42 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.976 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.4 mt -70.73 -31.22 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.14 -43.16 8.89 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.371 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.47 -41.4 94.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.387 . . . . 0.0 110.521 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.51 -33.37 72.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.013 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.2 tt -69.8 -34.47 73.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 110.537 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -36.64 80.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.663 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -45.51 67.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.1 mt -65.36 -28.69 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.795 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -69.8 -43.0 72.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.712 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.802 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttt . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.846 0.355 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -69.22 -36.24 77.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 -34.35 76.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.6 -27.85 70.38 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.323 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -39.85 49.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.74 0.305 . . . . 0.0 110.704 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 t -58.29 -32.52 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.7 mt -65.64 -40.33 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -28.67 69.37 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -59.84 -38.48 82.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.802 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.58 -36.63 76.72 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.135 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.49 -31.12 70.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.717 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -72.75 -35.83 67.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.716 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.13 -41.96 69.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.989 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.2 mt -66.53 -29.7 47.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.755 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -67.27 -39.0 86.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.029 179.845 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.936 0.398 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -67.29 -32.94 74.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.622 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.18 77.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.15 -38.46 95.27 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.149 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -40.82 98.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.936 0.398 . . . . 0.0 110.846 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 t -58.51 -28.45 36.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.979 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.5 -44.18 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.991 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.91 -49.32 17.54 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.286 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -35.05 69.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.867 0.365 . . . . 0.0 110.566 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.4 -37.06 79.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.831 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.19 -41.77 85.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.316 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.26 -27.01 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.579 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.98 -40.79 64.98 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.7 mt -63.06 -30.89 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.879 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -73.81 -45.3 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.083 179.75 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 tttm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -72.03 -36.06 69.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.612 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.93 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.687 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.88 74.4 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.956 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -73.4 -41.69 63.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 110.654 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.13 -37.76 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.024 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -70.83 -36.98 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.797 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.54 -28.46 71.05 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.218 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -37.88 74.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.929 0.395 . . . . 0.0 110.653 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.69 -40.93 76.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.029 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.71 -33.67 72.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.398 . . . . 0.0 110.499 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -31.96 63.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.434 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.53 -42.11 65.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.6 mt -66.2 -30.01 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.867 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -73.3 -46.99 46.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.89 -38.69 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.51 72.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.07 -34.52 81.6 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.058 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -40.49 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.835 0.35 . . . . 0.0 110.482 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -59.48 -35.18 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.017 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.0 mt -68.99 -41.49 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.645 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.67 -29.08 73.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.165 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -58.77 -37.48 76.38 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.957 0.408 . . . . 0.0 110.754 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.9 -39.53 85.27 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.815 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -33.34 75.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.418 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -35.62 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.441 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.36 -41.95 79.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.5 mt -66.11 -31.88 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.661 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.16 -46.91 60.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.553 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.4 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.989 179.619 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.805 0.336 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -46.81 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.966 0.412 . . . . 0.0 110.814 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.0 75.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.707 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.21 -27.44 71.79 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.193 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -72.53 -40.26 66.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.899 0.38 . . . . 0.0 110.734 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.54 -42.43 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.0 mt -72.19 -31.45 39.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.815 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.38 -29.92 51.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.285 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -59.93 -37.59 79.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.941 0.4 . . . . 0.0 110.647 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.03 85.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.073 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.51 -38.18 80.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 110.487 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -32.54 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.444 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -42.36 75.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.826 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.5 mt -66.11 -28.08 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.33 -34.26 76.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.769 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.905 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -66.86 -38.46 86.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.64 -38.17 89.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.013 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.77 -26.87 73.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.348 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -38.88 46.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 t -58.34 -31.74 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.29 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.6 mt -62.51 -45.37 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.73 -42.56 8.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.237 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -58.97 -32.64 69.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.813 0.339 . . . . 0.0 110.409 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.35 -33.62 85.49 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.99 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.81 -51.92 17.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 110.403 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -14.94 63.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.803 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.37 -39.08 21.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.031 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.06 -30.25 43.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.811 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -72.05 -40.93 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.523 -0.073 0 CA-C-O 120.952 0.406 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -63.25 -32.78 74.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.39 -38.09 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.993 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.55 -24.62 75.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.281 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -41.44 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.2 t -59.81 -33.47 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.277 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mt -65.68 -40.76 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.56 -39.38 90.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.384 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -53.32 59.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.574 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.43 -31.08 78.27 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.754 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -37.73 86.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 110.519 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -40.37 81.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.741 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.94 -42.02 67.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.593 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.9 mt -68.57 -25.65 31.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.803 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -70.36 -37.02 74.51 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.808 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.824 0.345 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -35.3 78.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.672 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.14 76.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.28 -28.94 72.15 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.293 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -40.31 68.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.769 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 t -57.89 -30.85 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.167 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.5 mt -65.03 -34.07 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.95 -31.63 57.72 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.394 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -58.43 -40.02 81.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.418 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.4 -37.09 79.13 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.141 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.78 -30.91 68.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.644 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -70.6 -38.21 73.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.7 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.37 -43.06 70.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.819 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mt -66.53 -28.5 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.786 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -39.21 83.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.966 179.74 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.15 108.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.683 0.278 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.67 108.95 1.38 Allowed Pre-proline 0 N--CA 1.452 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.188 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.54 58.94 5.39 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.492 2.128 . . . . 0.0 112.346 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.9 t -59.68 -35.74 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -35.25 76.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.7 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.26 -51.38 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.872 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.9 mt -63.51 -45.19 98.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -33.58 76.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.763 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -66.93 -34.24 77.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.775 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.77 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.17 -28.92 72.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.344 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -39.8 68.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 110.748 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 t -58.66 -34.28 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.424 HD11 HG21 ' A' ' 15' ' ' ILE . 54.0 mt -64.14 -38.49 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.792 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 -46.43 5.99 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.303 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -35.89 77.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.957 0.408 . . . . 0.0 110.443 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.91 -35.83 65.31 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.831 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -39.31 83.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.792 0.33 . . . . 0.0 110.47 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -27.62 63.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.57 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.38 -42.58 61.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.962 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 mt -64.5 -31.72 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.94 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -68.01 -37.84 81.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.6 mt -84.46 -24.64 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.172 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.94 -28.25 61.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.183 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.21 -43.92 87.93 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.562 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 t -72.71 -38.38 67.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 0.0 110.777 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -32.85 74.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.531 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.5 -31.15 71.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.804 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -50.77 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.747 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.4 t -46.88 -43.61 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.492 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.3 t -57.8 -29.33 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -66.77 -31.39 72.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.77 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.73 -43.43 89.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.803 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -77.72 -58.44 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 63.14 121.72 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.97 128.25 13.83 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.352 2.034 . . . . 0.0 112.319 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -153.25 97.82 2.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -109.42 152.19 25.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 156.81 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.19 171.61 14.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.91 101.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.456 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -69.76 -49.36 20.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 3' ' ' ILE . 19.8 Cg_exo -66.35 68.39 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.649 2.233 . . . . 0.0 112.292 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.1 t -64.4 -32.83 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.296 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -72.49 -27.41 62.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.56 -32.09 67.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.2 mt -78.68 -50.25 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.021 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -28.39 65.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.125 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -70.35 -35.15 73.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.838 0.352 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.27 -34.02 72.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.042 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.52 -28.28 72.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.307 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -41.19 65.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -59.38 -31.54 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.333 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.2 mt -69.79 -41.64 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.05 -34.01 65.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.434 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -32.52 69.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.71 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.2 -37.17 59.71 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.159 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -69.6 -33.93 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.676 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -75.0 -29.8 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.96 61.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 mt -69.63 -27.52 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.935 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.16 -41.46 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.3 mt -72.83 -34.65 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.948 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.97 -27.2 60.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.82 -29.69 50.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.592 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -52.12 47.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.792 0.33 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 t -57.62 -32.31 67.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.09 -29.25 70.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.79 -53.23 14.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.4 t -48.52 -37.53 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.507 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.1 t -72.66 -29.6 30.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -28.96 60.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.025 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.82 -31.22 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -80.59 -12.2 59.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.259 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.403 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 37.6 mtt-85 -53.31 -61.24 5.24 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.714 0.292 . . . . 0.0 111.101 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 36' ' ' ARG . 45.8 Cg_endo -68.47 156.56 65.18 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.421 2.081 . . . . 0.0 112.319 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -134.13 104.58 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.977 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 59.54 32.57 21.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -109.94 -32.26 7.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -165.73 56.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.765 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.952 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.91 110.61 21.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -57.35 123.52 61.77 Favored Pre-proline 0 N--CA 1.453 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.26 -36.64 3.95 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.489 2.126 . . . . 0.0 112.316 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.3 t -59.74 -35.79 62.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.239 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.06 -35.29 80.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.73 91.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.9 mt -69.08 -45.69 79.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -50.96 70.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.185 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -65.02 -38.23 90.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.763 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.14 68.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.21 -28.69 67.71 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.207 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -39.02 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.813 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 t -60.03 -34.3 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.7 mt -71.01 -32.18 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.86 -40.74 6.57 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.417 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -35.53 75.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.745 0.307 . . . . 0.0 110.515 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.25 -37.11 55.1 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.977 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.07 -34.38 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.513 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -74.27 -29.87 61.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.515 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.6 -42.76 58.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.7 mt -66.85 -28.7 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.787 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.43 -41.27 80.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.629 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.3 mt -68.74 -36.51 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.57 -30.78 32.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.962 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.96 -34.9 83.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.283 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.9 m -63.1 -58.17 8.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 0.0 110.785 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -57.97 -29.08 64.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.839 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.94 -22.78 59.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.4 -57.93 1.97 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.834 0.35 . . . . 0.0 111.095 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.6 t -52.17 -59.34 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.52 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -56.79 -27.75 26.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -33.28 73.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.6 -33.91 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.675 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.65 -31.5 13.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -138.85 76.27 34.69 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.68 -176.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.609 2.206 . . . . 0.0 112.333 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.78 30.64 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.776 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.88 102.74 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -77.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -111.92 90.45 3.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.811 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.935 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -86.94 -174.85 5.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.742 0.306 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.07 134.32 49.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.54 -27.28 5.23 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.576 2.184 . . . . 0.0 112.59 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.0 t -53.5 -35.71 26.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.563 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -32.37 72.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.728 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.24 83.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.723 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.7 mt -67.28 -45.78 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -56.89 -34.77 68.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -33.3 75.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.731 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.15 95.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.794 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.84 -29.56 73.77 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.086 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -70.24 -38.86 75.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.592 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 t -58.78 -28.43 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.94 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.7 mt -60.16 -41.62 87.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.738 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.13 -53.86 7.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.206 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -35.06 73.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.426 . . . . 0.0 110.529 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.23 61.51 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.943 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mt -70.61 -37.68 73.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -28.62 63.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.93 -40.68 60.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.997 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.7 mt -68.4 -30.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.758 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -67.68 -36.18 80.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.665 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.3 mt -93.57 -27.59 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.52 -35.07 69.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.46 -26.93 60.2 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.535 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.8 m -81.52 -56.66 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -57.23 -35.35 69.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.35 -31.4 72.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.37 -54.89 9.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 t -54.15 -40.09 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.357 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -67.81 -33.5 61.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -68.27 -36.58 79.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.667 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.41 -32.37 72.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.398 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -30.41 24.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.677 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.4 169.14 16.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.682 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -81.43 -50.3 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.553 2.169 . . . . 0.0 112.544 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 171.45 133.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.72 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.24 141.44 31.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.48 -33.5 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.966 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -107.38 133.7 51.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.2 m170 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.835 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.1 111.69 24.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.432 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -86.6 -52.75 0.43 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.97 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.432 ' HD3' ' CB ' ' A' ' 3' ' ' ILE . 16.9 Cg_exo -67.33 67.36 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.572 2.181 . . . . 0.0 112.17 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.8 t -54.76 -33.91 29.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.305 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -33.91 76.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.683 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.76 -50.48 72.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.817 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mt -62.0 -45.26 99.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -36.63 75.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -72.92 -34.22 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.637 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.54 -34.44 72.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.935 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.85 -29.28 71.08 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.201 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -71.71 -40.37 69.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 t -58.25 -30.41 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mt -65.34 -39.49 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.55 -37.09 92.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.297 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -57.74 -38.61 75.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.513 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.1 -38.31 92.26 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.773 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.29 -40.25 96.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.845 0.355 . . . . 0.0 110.423 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -61.88 -35.08 77.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.74 -39.42 66.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.68 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 mt -67.09 -24.43 32.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.849 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -70.55 -43.46 69.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.807 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt -76.59 -27.93 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.25 -29.71 20.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.8 -38.27 93.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.414 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.7 t -67.04 -45.55 77.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 110.57 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -34.63 77.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.257 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -65.98 -32.3 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.519 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -53.02 41.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.506 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 t -53.58 -50.58 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.352 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.29 -30.59 50.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.819 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.9 t -68.22 -33.52 74.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.754 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -63.62 -32.15 73.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.448 . . . . 0.0 110.792 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -95.65 -31.75 13.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.735 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.43 92.73 8.11 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.757 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.34 150.57 81.13 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.544 2.163 . . . . 0.0 112.234 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.38 121.32 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.62 129.7 34.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -101.34 105.69 16.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.76 -53.08 4.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.8 p80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.909 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -82.3 148.9 28.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -55.19 108.18 1.09 Allowed Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.389 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.9 -25.19 28.19 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.388 2.058 . . . . 0.0 112.297 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.7 t -53.85 -30.82 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.389 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -59.8 -36.31 76.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.922 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.0 -53.89 52.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mt -60.59 -43.84 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -56.21 -35.37 67.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -72.74 -36.98 67.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.787 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.67 -32.96 70.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.696 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.61 -33.64 76.83 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.146 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -39.46 91.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.755 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 t -58.81 -32.09 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.17 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -72.2 -35.81 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.081 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.17 -27.0 70.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.38 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -44.41 87.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.395 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.61 91.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.986 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -31.39 70.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.637 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -36.81 75.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.77 -42.18 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.709 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.4 mt -67.71 -28.29 41.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.739 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -69.14 -37.84 78.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.825 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.7 mt -82.22 -31.3 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.88 -33.47 74.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.73 -32.91 85.75 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.357 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.5 m -73.2 -48.59 33.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -36.61 74.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.794 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -29.41 69.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.891 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.3 -53.59 5.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.2 t -51.91 -38.24 22.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.424 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.3 t -72.34 -32.31 42.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -30.13 63.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.715 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -69.0 -35.37 76.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.815 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -89.29 -31.99 17.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.752 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.411 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -123.49 53.85 6.39 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.805 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 36' ' ' ARG . 59.1 Cg_endo -72.17 62.54 3.38 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -98.7 31.35 2.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.76 -30.39 23.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -90.72 157.01 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.029 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.7 pttm 42.62 91.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.495 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.912 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.04 121.71 35.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.802 0.334 . . . . 0.0 110.945 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.4 ' CG2' ' CB ' ' A' ' 7' ' ' ALA . 23.8 mm -59.57 126.88 83.88 Favored Pre-proline 0 N--CA 1.452 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.19 164.81 32.31 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.365 2.043 . . . . 0.0 112.424 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.1 t -57.51 -25.05 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.343 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -37.53 69.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.4 ' CB ' ' CG2' ' A' ' 3' ' ' ILE . . . -58.72 -53.24 60.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.731 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.9 mt -62.0 -44.75 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.945 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -64.16 -30.7 71.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.701 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -67.0 -38.08 85.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.72 78.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.13 -25.99 71.94 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.413 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -37.24 33.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 t -58.94 -33.63 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.227 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.2 mt -72.35 -41.59 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.63 -29.71 42.55 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -37.44 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.7 -38.39 67.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.088 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -74.04 -35.24 64.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.835 0.35 . . . . 0.0 110.662 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -31.56 66.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.581 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.34 -42.99 58.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.9 mt -68.54 -25.62 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.0 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -77.29 -44.43 29.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mt -78.5 -27.67 14.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.021 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -30.12 64.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.036 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.94 -32.5 69.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.47 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -76.81 -47.34 21.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.775 0.322 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -32.05 69.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.79 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -32.3 72.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.712 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.61 -54.57 15.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.565 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.9 t -53.89 -41.03 47.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.166 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.7 t -68.84 -31.82 52.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.675 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -32.21 73.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -60.51 -41.26 93.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.547 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -76.07 -30.96 58.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.696 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.19 167.34 26.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.729 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.65 -169.16 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.419 2.079 . . . . 0.0 112.282 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -139.8 109.89 6.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.015 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 tptt 59.74 43.92 14.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.91 112.92 24.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -66.76 136.97 56.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.9 p80 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.914 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 118.03 6.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mt -57.85 109.74 2.01 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -50.92 105.32 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.491 2.127 . . . . 0.0 112.352 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 t -57.13 -30.04 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.312 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -38.84 88.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.3 -52.02 67.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mt -65.23 -43.66 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.078 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 tttm -48.79 -55.15 12.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.43 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -60.3 -39.14 85.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.53 -35.81 75.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.611 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.14 -30.91 77.75 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.172 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -43.06 90.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.83 0.348 . . . . 0.0 110.653 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 t -61.06 -34.49 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.062 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.8 mt -63.42 -40.04 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.665 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.35 94.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.105 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -61.9 -42.41 99.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.047 0.451 . . . . 0.0 110.352 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.39 -33.97 73.62 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.699 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.5 -37.4 84.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.786 0.327 . . . . 0.0 110.528 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -59.6 -37.1 77.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.76 -40.09 61.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.437 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mt -68.0 -26.86 35.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.601 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -36.99 83.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.586 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.7 mt -77.64 -47.54 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.98 -30.99 67.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.93 -33.47 85.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.441 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 m -59.74 -54.39 46.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.701 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -59.46 -36.29 75.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.536 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -31.82 72.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.702 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.21 -53.06 33.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.51 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 t -52.08 -40.03 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.204 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.35 -30.05 38.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.815 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.47 -32.23 68.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.691 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.47 -31.64 72.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.64 -26.62 20.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.824 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 175.73 0.27 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.92 -16.68 39.89 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.754 2.302 . . . . 0.0 112.688 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.6 mttp 65.44 42.87 3.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -177.63 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -96.58 117.38 30.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -64.26 152.45 40.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.973 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.811 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.412 -0.275 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.93 110.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.883 0.373 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.532 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 2.8 mt -59.14 -51.91 78.38 Favored Pre-proline 0 N--CA 1.449 -0.498 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.718 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 3' ' ' ILE . 35.9 Cg_endo -65.17 125.81 15.27 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.163 1.908 . . . . 0.0 112.286 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.8 t -58.18 -27.35 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.393 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -62.52 -37.86 87.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.665 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.02 -53.25 60.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.638 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 mt -64.71 -44.15 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.035 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.17 -33.79 63.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -66.96 -34.08 76.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.739 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.43 86.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.09 -34.16 87.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.152 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -66.88 -38.83 87.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 0.0 110.609 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.43 -28.04 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.64 -41.88 86.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.777 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.94 -52.3 29.35 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.133 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -37.13 77.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.856 0.36 . . . . 0.0 110.376 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.38 -35.55 76.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.791 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tt -68.57 -40.98 80.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.38 . . . . 0.0 110.507 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -29.09 66.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.739 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.69 -41.83 62.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.91 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.8 mt -65.61 -31.44 53.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.714 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -38.15 90.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.605 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.1 mt -85.62 -31.59 6.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.65 -30.53 59.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.006 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.68 -33.94 68.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -46.22 55.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.63 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.18 -35.73 79.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.77 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -30.97 71.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -53.62 18.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.759 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 t -50.81 -39.92 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.346 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.6 t -67.64 -32.21 55.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.006 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -31.66 58.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.792 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.1 -34.34 59.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -82.97 -51.97 7.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.29 114.2 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.25 124.72 12.03 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.391 2.061 . . . . 0.0 112.207 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -67.91 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.43 139.35 31.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -81.14 91.41 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.68 134.22 24.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.111 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -129.72 132.24 46.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -105.48 76.25 0.33 Allowed Pre-proline 0 N--CA 1.448 -0.542 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.88 62.2 1.83 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.497 2.132 . . . . 0.0 112.528 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.7 -38.48 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.183 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -60.39 -36.24 77.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.673 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.58 77.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.1 mt -68.98 -46.02 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.113 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -35.93 75.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -66.28 -38.22 87.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.97 81.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.31 -29.92 76.44 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.261 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -45.18 76.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.739 0.304 . . . . 0.0 110.718 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 t -60.56 -37.65 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.052 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.7 mt -73.23 -32.21 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.88 -33.92 28.72 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -35.16 72.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.686 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.77 -37.56 76.01 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.133 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -35.77 78.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.543 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -28.83 62.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.605 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.33 -40.91 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.2 mt -67.52 -29.8 46.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -74.52 -46.12 41.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.669 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.0 mt -74.73 -28.67 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.12 -31.47 61.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.55 -32.75 75.36 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.303 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.38 -41.72 39.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.824 0.345 . . . . 0.0 110.787 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.65 -33.76 71.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.697 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -30.25 68.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.766 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.69 -53.81 5.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 t -52.94 -44.09 48.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.48 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.73 -29.81 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -31.54 70.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -69.51 -34.76 74.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -87.42 -42.38 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.79 69.2 1.14 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.95 -167.93 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.523 2.149 . . . . 0.0 112.287 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.15 -55.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -137.46 97.97 3.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -160.64 -44.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -133.93 -45.37 0.79 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.11 135.18 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 mm -58.76 135.19 86.64 Favored Pre-proline 0 N--CA 1.453 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.46 155.0 50.72 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.509 2.139 . . . . 0.0 112.276 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.0 t -60.06 -35.09 59.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -65.33 -34.08 77.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.633 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.77 87.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.851 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.1 mt -64.61 -46.93 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.012 0.434 . . . . 0.0 111.027 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -61.59 -39.89 92.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -68.61 -35.21 77.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.659 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.62 78.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.76 -27.41 72.42 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.419 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -39.88 30.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.308 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.3 t -58.04 -35.17 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.5 mt -64.96 -33.85 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.755 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.98 -49.08 7.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.351 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -36.01 75.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.548 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.83 -35.11 62.01 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.909 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -35.27 72.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.597 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -70.45 -32.93 70.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.79 -42.7 63.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mt -67.34 -27.9 40.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.851 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -71.46 -42.38 68.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.787 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 mt -75.39 -40.62 42.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.015 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.06 -30.89 44.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.41 -33.84 87.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.396 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 m -66.07 -57.7 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.794 0.331 . . . . 0.0 110.79 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.6 t -59.72 -33.79 72.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.726 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -31.29 72.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.63 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.56 -55.13 8.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.676 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 t -54.07 -43.41 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.244 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.7 t -67.84 -33.23 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.707 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t -67.61 -31.69 71.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.634 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -62.48 -34.08 76.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -92.73 -30.97 15.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.59 168.31 13.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.71 -171.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.67 2.246 . . . . 0.0 112.373 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -90.83 -41.74 11.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.47 156.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.24 89.12 7.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -131.76 123.85 28.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.3 m80 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.934 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -95.68 15.24 20.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.634 0.254 . . . . 0.0 111.257 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -69.98 111.26 8.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.3 69.65 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.596 2.197 . . . . 0.0 112.192 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.3 t -59.39 -37.18 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -67.62 -31.78 72.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.705 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.68 -40.39 92.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.979 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.9 mt -71.91 -47.51 55.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -53.93 52.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.82 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -62.45 -31.15 71.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.709 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.33 77.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.27 -29.7 71.86 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.159 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -71.4 -40.85 70.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.691 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -58.7 -34.42 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.976 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.4 mt -70.73 -31.22 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.14 -43.16 8.89 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.371 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.47 -41.4 94.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.387 . . . . 0.0 110.521 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.51 -33.37 72.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.013 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.2 tt -69.8 -34.47 73.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 110.537 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -36.64 80.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.663 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -45.51 67.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.1 mt -65.36 -28.69 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.795 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -69.8 -43.0 72.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.712 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt -74.79 -31.56 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.01 -35.51 72.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.55 -33.02 80.05 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.405 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.7 m -67.31 -39.23 85.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.911 0.386 . . . . 0.0 110.753 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -34.72 78.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.644 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.422 ' CE1' ' HD2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -61.49 -30.44 70.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.4 -53.8 12.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.73 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 t -51.44 -39.31 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.266 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.1 t -69.07 -34.82 65.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 t -66.72 -32.58 73.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -60.76 -34.13 73.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.541 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -92.64 -28.09 16.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.857 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ttp85 -152.49 87.77 4.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.067 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.28 115.18 2.12 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.578 2.186 . . . . 0.0 112.357 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 10.9 ptmm? -75.32 -21.97 58.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.02 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt 68.81 110.56 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -89.24 -71.83 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -97.89 -36.05 10.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.925 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.638 -0.185 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 147.13 37.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.692 0.282 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.61 107.9 0.98 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.449 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.48 102.21 1.59 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.508 2.139 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.4 t -57.72 -29.94 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.293 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -36.46 79.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.689 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.35 59.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.794 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.2 mt -65.77 -44.38 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -62.09 -35.11 77.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -69.22 -36.24 77.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 -34.35 76.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.6 -27.85 70.38 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.323 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -39.85 49.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.74 0.305 . . . . 0.0 110.704 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 t -58.29 -32.52 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.7 mt -65.64 -40.33 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -28.67 69.37 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -59.84 -38.48 82.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.802 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.58 -36.63 76.72 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.135 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.49 -31.12 70.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.717 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -72.75 -35.83 67.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.716 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.13 -41.96 69.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.989 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.2 mt -66.53 -29.7 47.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.755 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -67.27 -39.0 86.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -67.96 -31.58 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.029 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -31.24 72.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.66 -32.77 70.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.6 m -66.89 -46.82 73.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.715 0.293 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -34.71 71.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.721 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -24.68 67.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.043 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.79 -54.2 3.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.053 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 t -50.82 -63.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.552 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.88 -25.69 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.42 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -31.74 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -91.51 -26.96 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -43.6 92.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.05 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -59.96 -61.5 7.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.002 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 36' ' ' ARG . 57.8 Cg_endo -71.39 -165.61 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.475 2.117 . . . . 0.0 112.381 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mptt 68.62 28.06 5.86 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 42.79 43.27 3.34 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.741 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 161.67 26.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 62.91 -178.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.161 -0.924 . . . . 0.0 110.915 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.23 124.8 46.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 mt -111.54 96.08 30.33 Favored Pre-proline 0 N--CA 1.45 -0.466 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.75 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.13 77.26 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.601 2.2 . . . . 0.0 112.589 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.13 -39.13 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -61.59 -33.41 73.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.715 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.24 -48.77 78.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.768 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.1 mt -65.2 -45.85 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.871 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -60.56 -46.6 89.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -67.29 -32.94 74.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.622 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.18 77.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.15 -38.46 95.27 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.149 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -40.82 98.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.936 0.398 . . . . 0.0 110.846 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 t -58.51 -28.45 36.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.979 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.5 -44.18 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.991 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.91 -49.32 17.54 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.286 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -35.05 69.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.867 0.365 . . . . 0.0 110.566 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.4 -37.06 79.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.831 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.19 -41.77 85.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.316 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.26 -27.01 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.579 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.98 -40.79 64.98 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.7 mt -63.06 -30.89 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.879 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -73.81 -45.3 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.1 mt -76.47 -27.9 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.083 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.23 -40.08 70.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.281 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.25 -34.0 69.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.377 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.4 p -75.0 -50.67 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 110.842 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 t -58.06 -24.9 60.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.9 -22.34 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.133 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.97 -58.41 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 0.0 111.197 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 t -50.08 -47.61 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.746 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.68 -30.47 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -30.33 65.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -79.2 -38.38 35.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -85.33 -44.49 12.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 61.37 86.09 0.16 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.49 -22.52 24.62 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.522 2.148 . . . . 0.0 112.417 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.03 30.33 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.29 64.58 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.938 0.399 . . . . 0.0 110.8 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -88.28 150.65 23.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.96 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.45 141.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.5 m80 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.92 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 112.576 -0.21 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.45 129.51 37.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.81 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -53.15 107.59 0.89 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.321 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.34 -1.19 11.34 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.468 2.112 . . . . 0.0 112.857 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.47 -30.74 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-O 120.918 0.39 . . . . 0.0 111.29 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -30.36 66.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.919 0.39 . . . . 0.0 110.589 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.14 -45.0 82.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.663 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.1 mt -65.55 -46.73 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.979 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -58.19 -41.46 83.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -72.03 -36.06 69.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.612 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.93 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.687 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.88 74.4 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.956 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -73.4 -41.69 63.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 110.654 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.13 -37.76 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.024 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -70.83 -36.98 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.797 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.54 -28.46 71.05 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.218 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -37.88 74.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.929 0.395 . . . . 0.0 110.653 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.69 -40.93 76.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.029 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.71 -33.67 72.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.398 . . . . 0.0 110.499 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -31.96 63.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.434 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.53 -42.11 65.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.6 mt -66.2 -30.01 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.867 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -73.3 -46.99 46.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.1 mt -69.4 -27.97 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.01 -40.57 76.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.952 0.406 . . . . 0.0 111.038 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.87 -32.25 81.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.325 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.7 m -77.62 -46.49 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.632 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -37.17 79.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.719 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -60.58 -30.48 69.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.678 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -54.87 7.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 t -52.43 -37.42 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.294 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.1 t -74.39 -29.94 25.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -29.1 60.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.616 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.87 -34.05 73.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.767 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -49.99 4.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 60.85 67.92 1.39 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.01 -178.27 2.73 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.517 2.145 . . . . 0.0 112.294 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.74 85.28 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.012 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -146.34 124.47 12.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 84.8 mttt 60.24 79.2 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -67.75 -48.46 66.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.0 m80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.947 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt 63.38 15.64 8.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.693 0.282 . . . . 0.0 111.455 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -56.27 108.67 1.28 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.196 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.87 -37.64 92.75 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.481 2.121 . . . . 0.0 112.135 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.1 t -59.7 -30.8 45.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.242 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -37.85 80.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.77 -53.55 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.564 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.5 mt -63.31 -44.95 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.977 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.09 -36.68 70.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.89 -38.69 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.51 72.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.07 -34.52 81.6 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.058 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -40.49 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.835 0.35 . . . . 0.0 110.482 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -59.48 -35.18 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.017 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.0 mt -68.99 -41.49 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.645 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.67 -29.08 73.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.165 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -58.77 -37.48 76.38 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.957 0.408 . . . . 0.0 110.754 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.9 -39.53 85.27 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.815 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -33.34 75.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.418 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -35.62 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.441 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.36 -41.95 79.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.5 mt -66.11 -31.88 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.661 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.16 -46.91 60.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.553 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.4 mt -71.13 -25.92 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.989 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.47 -36.41 64.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.63 -31.95 68.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.181 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.18 -54.89 14.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.792 0.33 . . . . 0.0 110.56 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 t -61.65 -38.64 88.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -32.75 74.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -53.77 30.26 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.574 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 t -53.17 -42.39 46.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.999 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.75 -44.12 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.881 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -57.92 -30.25 65.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.76 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -73.65 -30.1 62.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.612 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -107.61 23.98 13.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.54 169.37 7.91 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.78 171.24 18.25 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.52 2.146 . . . . 0.0 112.395 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 pttm -87.43 -31.2 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -102.38 154.34 19.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.68 125.64 25.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 129.97 39.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.9 p80 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.987 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.109 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.59 125.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 110.75 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -47.27 104.24 0.4 Allowed Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.511 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -83.52 -29.61 1.05 Allowed 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.69 2.26 . . . . 0.0 112.464 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.9 t -58.31 -30.5 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.399 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -59.86 -40.25 87.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.31 -53.59 56.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 mt -66.78 -43.3 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.042 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -48.42 -32.34 7.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.197 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -46.81 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.966 0.412 . . . . 0.0 110.814 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.0 75.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.707 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.21 -27.44 71.79 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.193 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -72.53 -40.26 66.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.899 0.38 . . . . 0.0 110.734 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.54 -42.43 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.0 mt -72.19 -31.45 39.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.815 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.38 -29.92 51.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.285 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -59.93 -37.59 79.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.941 0.4 . . . . 0.0 110.647 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.03 85.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.073 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.51 -38.18 80.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 110.487 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -32.54 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.444 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -42.36 75.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.826 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.5 mt -66.11 -28.08 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.33 -34.26 76.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.769 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.13 -44.68 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.14 83.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.99 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.2 -33.15 77.56 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.264 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 m -71.57 -48.54 47.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.686 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -35.37 74.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.754 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -31.2 69.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.706 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -53.98 10.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.894 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.4 t -51.7 -41.07 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.236 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.3 t -72.64 -34.61 48.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.654 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -71.81 -29.48 64.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.495 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -32.56 73.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.771 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.69 -45.57 8.38 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 tpt85 59.95 93.37 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.01 107.26 1.48 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.48 2.12 . . . . 0.0 112.226 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -50.67 70.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.9 tttp 60.79 30.84 19.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.44 -76.87 0.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.34 159.18 18.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.988 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.915 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.12 106.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.71 0.29 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.465 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.7 OUTLIER -63.06 -48.2 84.72 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.149 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 3' ' ' ILE . 25.7 Cg_exo -63.03 -56.33 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.573 2.182 . . . . 0.0 112.122 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.7 t -56.53 -27.82 25.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.497 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -58.35 -38.11 76.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.83 -51.86 68.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mt -65.05 -44.97 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.948 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -34.38 75.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -66.86 -38.46 86.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.64 -38.17 89.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.013 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.77 -26.87 73.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.348 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -38.88 46.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 t -58.34 -31.74 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.29 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.6 mt -62.51 -45.37 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.73 -42.56 8.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.237 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -58.97 -32.64 69.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.813 0.339 . . . . 0.0 110.409 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.35 -33.62 85.49 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.99 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.81 -51.92 17.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 110.403 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -14.94 63.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.803 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.37 -39.08 21.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.031 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.06 -30.25 43.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.811 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -72.05 -40.93 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.5 mt -82.62 -27.5 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.38 -28.65 59.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.5 -31.59 62.95 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.69 -51.68 13.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.752 0.31 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 t -56.33 -33.31 65.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.686 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.27 -30.61 69.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -55.6 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 t -54.84 -48.34 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.535 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.79 -31.18 46.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.039 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t -66.07 -42.9 88.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -75.43 -35.27 61.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.517 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -107.14 46.54 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.47 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -52.36 131.72 43.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.53 136.61 40.08 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.553 2.169 . . . . 0.0 112.183 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -55.58 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 148.29 40.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -146.52 157.23 43.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -109.35 61.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.573 -0.211 . . . . 0.0 112.573 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.23 136.1 37.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.373 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.447 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -73.41 -49.33 6.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.23 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 3' ' ' ILE . 94.1 Cg_endo -84.53 49.32 2.66 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.636 2.224 . . . . 0.0 112.684 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.9 t -83.09 -32.94 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -61.55 -36.22 79.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.57 -43.07 93.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.1 mt -69.37 -51.74 39.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -53.34 56.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.091 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -63.25 -32.78 74.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.39 -38.09 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.993 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.55 -24.62 75.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.281 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -41.44 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.2 t -59.81 -33.47 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.277 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mt -65.68 -40.76 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.56 -39.38 90.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.384 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -53.32 59.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.574 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.43 -31.08 78.27 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.754 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -37.73 86.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 110.519 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -40.37 81.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.741 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.94 -42.02 67.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.593 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.9 mt -68.57 -25.65 31.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.803 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -70.36 -37.02 74.51 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.808 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt -68.43 -29.23 43.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.2 -27.14 18.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.193 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.29 -30.46 30.69 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.476 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 t -70.35 -38.85 74.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.89 0.376 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -66.63 -30.54 70.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.18 -29.52 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -54.92 6.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 t -51.52 -43.9 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.445 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.0 t -64.6 -29.62 47.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.186 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.73 -26.95 44.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.37 -36.23 15.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.051 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.19 -29.51 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 10.0 mmm-85 -58.29 -61.4 7.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 36' ' ' ARG . 52.7 Cg_endo -69.57 151.74 70.17 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.329 2.019 . . . . 0.0 112.343 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -169.29 34.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -140.27 145.07 36.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.13 149.32 26.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.59 179.17 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.966 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.853 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.78 102.04 11.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.674 0.273 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mt -64.66 110.29 3.87 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.76 142.98 59.77 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.375 2.05 . . . . 0.0 112.294 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.6 t -56.91 -32.13 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.331 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -60.84 -35.89 77.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.772 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.75 -52.25 66.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.9 mt -62.49 -44.78 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.978 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -58.32 -33.65 69.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -35.3 78.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.672 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.14 76.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.28 -28.94 72.15 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.293 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -40.31 68.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.769 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 t -57.89 -30.85 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.167 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.5 mt -65.03 -34.07 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.95 -31.63 57.72 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.394 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -58.43 -40.02 81.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.418 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.4 -37.09 79.13 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.141 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.78 -30.91 68.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.644 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -70.6 -38.21 73.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.7 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.37 -43.06 70.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.819 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mt -66.53 -28.5 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.786 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -39.21 83.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.3 mt -69.32 -32.41 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.966 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.23 -31.05 72.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.991 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.91 -34.2 89.25 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.208 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -55.13 20.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.77 0.319 . . . . 0.0 110.716 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 t -59.68 -32.91 70.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -30.36 71.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.912 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.1 -55.13 5.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 t -52.58 -47.13 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.302 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.5 t -65.4 -31.72 55.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.82 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.6 t -68.99 -29.75 68.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.43 8.29 45.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.35 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.31 -40.39 2.81 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.77 0.319 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 1.7 ttp85 -59.43 -61.09 8.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 36' ' ' ARG . 50.2 Cg_endo -69.21 146.99 65.38 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.507 2.138 . . . . 0.0 112.358 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.21 30.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -57.7 129.75 43.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.73 38.49 1.8 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -74.68 69.33 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.801 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.752 0.31 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.0 mm-40 -66.93 -34.24 77.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.775 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.77 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.17 -28.92 72.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.344 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -39.8 68.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 110.748 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.4 t -58.66 -34.28 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.0 mt -64.14 -38.49 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.792 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 -46.43 5.99 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.303 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -35.89 77.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.957 0.408 . . . . 0.0 110.443 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.91 -35.83 65.31 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.831 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -39.31 83.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.792 0.33 . . . . 0.0 110.47 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -27.62 63.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.57 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.38 -42.58 61.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.962 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 mt -64.5 -31.72 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.94 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -68.01 -37.84 81.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.6 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.172 179.821 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.565 0.221 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.577 ' O ' HG23 ' A' ' 14' ' ' VAL . 2.9 tt0 -70.35 -35.15 73.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.838 0.352 . . . . 0.0 110.84 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.27 -34.02 72.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.042 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.585 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -69.52 -28.28 72.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.307 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -41.19 65.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.2 t -59.38 -31.54 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.333 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.585 HD12 ' HA2' ' A' ' 12' ' ' GLY . 24.2 mt -69.79 -41.64 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.05 -34.01 65.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.434 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -32.52 69.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.71 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.2 -37.17 59.71 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.159 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -69.6 -33.93 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.676 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -75.0 -29.8 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.96 61.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 mt -69.63 -27.52 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.935 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.16 -41.46 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.948 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.915 0.388 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.708 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.8 pt20 -65.02 -38.23 90.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.763 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.14 68.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.21 -28.69 67.71 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.207 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -39.02 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.813 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.0 t -60.03 -34.3 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.7 mt -71.01 -32.18 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.86 -40.74 6.57 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.417 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -35.53 75.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.745 0.307 . . . . 0.0 110.515 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -73.25 -37.11 55.1 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.977 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.07 -34.38 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.513 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -74.27 -29.87 61.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.515 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.6 -42.76 58.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.412 HD12 ' O ' ' A' ' 18' ' ' GLY . 15.7 mt -66.85 -28.7 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.787 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.43 -41.27 80.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.629 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 179.82 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 mttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.715 0.293 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.628 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -66.9 -33.3 75.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.731 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.15 95.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.794 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.84 -29.56 73.77 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.086 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -70.24 -38.86 75.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.592 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.9 t -58.78 -28.43 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.94 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.7 mt -60.16 -41.62 87.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.738 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.13 -53.86 7.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.206 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -35.06 73.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.426 . . . . 0.0 110.529 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.23 61.51 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.943 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mt -70.61 -37.68 73.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -28.62 63.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.93 -40.68 60.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.997 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.7 mt -68.4 -30.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.758 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -67.68 -36.18 80.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.665 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.3 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.847 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.725 0.298 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.649 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.0 tt0 -72.92 -34.22 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.637 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.54 -34.44 72.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.935 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.673 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -69.85 -29.28 71.08 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.201 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -71.71 -40.37 69.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.3 t -58.25 -30.41 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.673 HD12 ' HA2' ' A' ' 12' ' ' GLY . 29.3 mt -65.34 -39.49 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.55 -37.09 92.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.297 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -57.74 -38.61 75.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.513 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.1 -38.31 92.26 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.773 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.738 ' HA ' HD12 ' A' ' 22' ' ' ILE . 11.3 mt -63.29 -40.25 96.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.845 0.355 . . . . 0.0 110.423 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -61.88 -35.08 77.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.74 -39.42 66.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.68 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 19' ' ' LEU . 8.5 mt -67.09 -24.43 32.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.849 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -70.55 -43.46 69.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.807 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.049 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.861 0.362 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' HG23 ' A' ' 14' ' ' VAL . 6.5 mt-30 -72.74 -36.98 67.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.787 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.67 -32.96 70.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.696 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.48 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -68.61 -33.64 76.83 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.146 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -39.46 91.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.755 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 10' ' ' GLN . 7.7 t -58.81 -32.09 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.17 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.48 HD12 ' HA2' ' A' ' 12' ' ' GLY . 25.3 mt -72.2 -35.81 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.081 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.17 -27.0 70.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.38 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -44.41 87.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.395 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.61 91.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.986 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -31.39 70.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.637 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -36.81 75.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.77 -42.18 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.709 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.4 mt -67.71 -28.29 41.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.739 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -69.14 -37.84 78.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.825 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.7 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.78 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.677 0.275 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.864 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.7 tt0 -67.0 -38.08 85.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.72 78.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.13 -25.99 71.94 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.413 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -37.24 33.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 10' ' ' GLN . 6.1 t -58.94 -33.63 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.227 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.2 mt -72.35 -41.59 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.63 -29.71 42.55 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -37.44 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.425 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -70.7 -38.39 67.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.088 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -74.04 -35.24 64.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.835 0.35 . . . . 0.0 110.662 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -31.56 66.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.581 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.34 -42.99 58.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 18' ' ' GLY . 14.9 mt -68.54 -25.62 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.0 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -77.29 -44.43 29.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.021 179.913 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 tttm . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.871 0.367 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -60.3 -39.14 85.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.53 -35.81 75.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.611 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.756 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -66.14 -30.91 77.75 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.172 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -43.06 90.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.83 0.348 . . . . 0.0 110.653 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 t -61.06 -34.49 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.062 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.756 HD12 ' HA2' ' A' ' 12' ' ' GLY . 41.8 mt -63.42 -40.04 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.665 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.35 94.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.105 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -61.9 -42.41 99.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.047 0.451 . . . . 0.0 110.352 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.39 -33.97 73.62 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.699 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.62 ' HA ' HD12 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -66.5 -37.4 84.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.786 0.327 . . . . 0.0 110.528 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -59.6 -37.1 77.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.76 -40.09 61.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.437 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 19' ' ' LEU . 9.4 mt -68.0 -26.86 35.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.601 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -36.99 83.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.586 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.7 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.792 0.329 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.702 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.6 tm0? -66.96 -34.08 76.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.739 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.43 86.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.09 -34.16 87.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.152 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -66.88 -38.83 87.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 0.0 110.609 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.8 t -58.43 -28.04 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.64 -41.88 86.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.777 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.94 -52.3 29.35 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.133 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -37.13 77.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.856 0.36 . . . . 0.0 110.376 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.38 -35.55 76.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.791 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 22' ' ' ILE . 7.0 tt -68.57 -40.98 80.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.38 . . . . 0.0 110.507 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -29.09 66.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.739 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.69 -41.83 62.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.91 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 19' ' ' LEU . 7.8 mt -65.61 -31.44 53.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.714 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -38.15 90.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.605 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.1 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.903 179.812 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.919 0.39 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -66.28 -38.22 87.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.97 81.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.31 -29.92 76.44 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.261 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -45.18 76.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.739 0.304 . . . . 0.0 110.718 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 t -60.56 -37.65 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.052 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.7 mt -73.23 -32.21 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.88 -33.92 28.72 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -35.16 72.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.686 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.77 -37.56 76.01 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.133 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -35.77 78.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.543 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -28.83 62.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.605 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.33 -40.91 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.2 mt -67.52 -29.8 46.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -74.52 -46.12 41.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.669 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.043 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 tttm . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.805 0.336 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.872 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.6 mt-30 -68.61 -35.21 77.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.659 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.62 78.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.631 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -70.76 -27.41 72.42 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.419 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -39.88 30.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.308 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 10' ' ' GLN . 6.3 t -58.04 -35.17 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.631 HD12 ' HA2' ' A' ' 12' ' ' GLY . 13.5 mt -64.96 -33.85 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.755 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.98 -49.08 7.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.351 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -36.01 75.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.548 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.83 -35.11 62.01 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.909 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -35.27 72.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.597 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -70.45 -32.93 70.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.79 -42.7 63.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mt -67.34 -27.9 40.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.851 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -71.46 -42.38 68.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.787 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.015 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.642 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.9 pp0? -62.45 -31.15 71.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.709 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.33 77.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.27 -29.7 71.86 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.159 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -71.4 -40.85 70.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.691 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.2 t -58.7 -34.42 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.976 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.4 mt -70.73 -31.22 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.14 -43.16 8.89 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.371 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.47 -41.4 94.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.387 . . . . 0.0 110.521 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.51 -33.37 72.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.013 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.2 tt -69.8 -34.47 73.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 110.537 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -36.64 80.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.663 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -45.51 67.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.1 mt -65.36 -28.69 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.795 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -69.8 -43.0 72.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.712 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.802 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttt . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.846 0.355 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.848 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.4 mm-40 -69.22 -36.24 77.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 -34.35 76.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.777 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -71.6 -27.85 70.38 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.323 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -39.85 49.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.74 0.305 . . . . 0.0 110.704 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.9 t -58.29 -32.52 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.777 HD12 ' HA2' ' A' ' 12' ' ' GLY . 12.7 mt -65.64 -40.33 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.941 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -28.67 69.37 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -59.84 -38.48 82.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.802 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.58 -36.63 76.72 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.135 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 22' ' ' ILE . 4.0 mt -68.49 -31.12 70.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.717 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -72.75 -35.83 67.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.716 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.13 -41.96 69.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.989 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 19' ' ' LEU . 7.2 mt -66.53 -29.7 47.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.755 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -67.27 -39.0 86.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.029 179.845 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.936 0.398 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.628 ' O ' HG23 ' A' ' 14' ' ' VAL . 26.7 mt-30 -67.29 -32.94 74.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.622 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.18 77.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.15 -38.46 95.27 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.149 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -40.82 98.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.936 0.398 . . . . 0.0 110.846 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.4 t -58.51 -28.45 36.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.979 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.5 -44.18 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.991 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.91 -49.32 17.54 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.286 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -35.05 69.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.867 0.365 . . . . 0.0 110.566 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.4 -37.06 79.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.831 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.668 ' HA ' HD12 ' A' ' 22' ' ' ILE . 5.8 tt -67.19 -41.77 85.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.316 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.26 -27.01 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.579 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.98 -40.79 64.98 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 19' ' ' LEU . 6.7 mt -63.06 -30.89 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.879 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -73.81 -45.3 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.083 179.75 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 tttm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.669 ' O ' HG23 ' A' ' 14' ' ' VAL . 38.4 tt0 -72.03 -36.06 69.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.612 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.93 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.687 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.88 74.4 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.956 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -73.4 -41.69 63.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 110.654 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 10' ' ' GLN . 4.4 t -61.13 -37.76 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.024 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -70.83 -36.98 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.797 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.54 -28.46 71.05 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.218 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -37.88 74.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.929 0.395 . . . . 0.0 110.653 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.69 -40.93 76.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.029 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.2 mt -69.71 -33.67 72.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.398 . . . . 0.0 110.499 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -31.96 63.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.434 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.53 -42.11 65.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 19' ' ' LEU . 7.6 mt -66.2 -30.01 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.867 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -73.3 -46.99 46.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.547 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -72.89 -38.69 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.51 72.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.429 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -68.07 -34.52 81.6 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.058 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -40.49 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.835 0.35 . . . . 0.0 110.482 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 10' ' ' GLN . 4.9 t -59.48 -35.18 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.017 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.429 HD12 ' HA2' ' A' ' 12' ' ' GLY . 41.0 mt -68.99 -41.49 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.645 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.67 -29.08 73.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.165 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -58.77 -37.48 76.38 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.957 0.408 . . . . 0.0 110.754 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.9 -39.53 85.27 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.815 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -64.37 -33.34 75.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.418 179.551 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.649 ' HD3' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -71.46 -35.62 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.441 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.36 -41.95 79.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 19' ' ' LEU . 12.5 mt -66.11 -31.88 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.661 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.16 -46.91 60.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.553 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.649 HD11 ' HD3' ' A' ' 20' ' ' ARG . 17.4 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.989 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.805 0.336 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.584 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -68.85 -46.81 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.966 0.412 . . . . 0.0 110.814 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.0 75.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.707 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.21 -27.44 71.79 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.193 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -72.53 -40.26 66.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.899 0.38 . . . . 0.0 110.734 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 10' ' ' GLN . 4.4 t -61.54 -42.43 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.0 mt -72.19 -31.45 39.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.815 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.38 -29.92 51.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.285 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -59.93 -37.59 79.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.941 0.4 . . . . 0.0 110.647 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.03 85.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.073 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.537 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.5 mt -68.51 -38.18 80.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 110.487 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -32.54 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.444 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -42.36 75.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.826 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 19' ' ' LEU . 6.5 mt -66.11 -28.08 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.33 -34.26 76.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.769 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.905 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.863 ' O ' HG23 ' A' ' 14' ' ' VAL . 2.7 mt-30 -66.86 -38.46 86.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.64 -38.17 89.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.013 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.583 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -70.77 -26.87 73.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.348 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -38.88 46.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.3 t -58.34 -31.74 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.29 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.583 HD12 ' HA2' ' A' ' 12' ' ' GLY . 29.6 mt -62.51 -45.37 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.73 -42.56 8.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.237 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 3.2 mttt -58.97 -32.64 69.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.813 0.339 . . . . 0.0 110.409 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.35 -33.62 85.49 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.99 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.81 -51.92 17.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 110.403 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -14.94 63.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.803 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . -83.37 -39.08 21.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.031 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.06 -30.25 43.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.811 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -72.05 -40.93 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.523 -0.073 0 CA-C-O 120.952 0.406 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.634 ' O ' HG23 ' A' ' 14' ' ' VAL . 2.3 tt0 -63.25 -32.78 74.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.39 -38.09 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.993 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.429 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -68.55 -24.62 75.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.281 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -41.44 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 10' ' ' GLN . 6.2 t -59.81 -33.47 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.277 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.429 HD12 ' HA2' ' A' ' 12' ' ' GLY . 48.6 mt -65.68 -40.76 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.56 -39.38 90.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.384 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -53.32 59.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.574 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.43 -31.08 78.27 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.754 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -66.15 -37.73 86.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 110.519 179.58 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -40.37 81.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.741 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.94 -42.02 67.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.593 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.9 mt -68.57 -25.65 31.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.803 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -70.36 -37.02 74.51 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.808 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.824 0.345 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -62.07 -35.3 78.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.672 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.14 76.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.28 -28.94 72.15 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.293 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -40.31 68.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.769 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.4 t -57.89 -30.85 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.167 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.5 mt -65.03 -34.07 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.95 -31.63 57.72 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.394 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -58.43 -40.02 81.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.418 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.4 -37.09 79.13 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.141 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.78 -30.91 68.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.644 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -70.6 -38.21 73.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.7 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.37 -43.06 70.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.819 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mt -66.53 -28.5 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.786 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -39.21 83.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.966 179.74 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.15 108.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.683 0.278 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.67 108.95 1.38 Allowed Pre-proline 0 N--CA 1.452 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.188 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.54 58.94 5.39 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.492 2.128 . . . . 0.0 112.346 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.701 ' HA ' HD12 ' A' ' 8' ' ' ILE . 4.9 t -59.68 -35.74 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -35.25 76.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.7 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.26 -51.38 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.872 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.9 mt -63.51 -45.19 98.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -33.58 76.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.763 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.0 mm-40 -66.93 -34.24 77.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.775 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.77 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.17 -28.92 72.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.344 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -39.8 68.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 110.748 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.4 t -58.66 -34.28 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.0 mt -64.14 -38.49 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.792 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 -46.43 5.99 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.303 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -35.89 77.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.957 0.408 . . . . 0.0 110.443 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.91 -35.83 65.31 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.831 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -39.31 83.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.792 0.33 . . . . 0.0 110.47 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -27.62 63.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.57 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.38 -42.58 61.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.962 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 mt -64.5 -31.72 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.94 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -68.01 -37.84 81.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.531 ' O ' HG22 ' A' ' 27' ' ' THR . 29.6 mt -84.46 -24.64 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.172 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.94 -28.25 61.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.183 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.21 -43.92 87.93 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.562 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.9 t -72.71 -38.38 67.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 0.0 110.777 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -64.38 -32.85 74.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.531 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.5 -31.15 71.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.804 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -50.77 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.747 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 27' ' ' THR . 10.4 t -46.88 -43.61 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.492 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 28' ' ' THR . 47.3 t -57.8 -29.33 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.158 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -66.77 -31.39 72.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.77 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.73 -43.43 89.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.803 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -77.72 -58.44 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 63.14 121.72 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.97 128.25 13.83 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.352 2.034 . . . . 0.0 112.319 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -153.25 97.82 2.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -109.42 152.19 25.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 156.81 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.19 171.61 14.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.91 101.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.461 HD12 ' HD3' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -69.76 -49.36 20.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' HD3' HD12 ' A' ' 3' ' ' ILE . 19.8 Cg_exo -66.35 68.39 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.649 2.233 . . . . 0.0 112.292 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.847 ' HA ' HD12 ' A' ' 8' ' ' ILE . 37.1 t -64.4 -32.83 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.296 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -72.49 -27.41 62.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.56 -32.09 67.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.847 HD12 ' HA ' ' A' ' 5' ' ' VAL . 2.2 mt -78.68 -50.25 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.021 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -28.39 65.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.125 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.577 ' O ' HG23 ' A' ' 14' ' ' VAL . 2.9 tt0 -70.35 -35.15 73.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.838 0.352 . . . . 0.0 110.84 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.27 -34.02 72.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.042 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.585 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -69.52 -28.28 72.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.307 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -41.19 65.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.2 t -59.38 -31.54 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.333 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.585 HD12 ' HA2' ' A' ' 12' ' ' GLY . 24.2 mt -69.79 -41.64 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.05 -34.01 65.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.434 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -32.52 69.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.71 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.2 -37.17 59.71 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.159 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -69.6 -33.93 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.676 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -75.0 -29.8 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.96 61.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 mt -69.63 -27.52 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.935 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.16 -41.46 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.3 mt -72.83 -34.65 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.948 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.97 -27.2 60.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.82 -29.69 50.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.592 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -52.12 47.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.792 0.33 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.0 t -57.62 -32.31 67.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.09 -29.25 70.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.79 -53.23 14.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.4 t -48.52 -37.53 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.507 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 28' ' ' THR . 38.1 t -72.66 -29.6 30.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -28.96 60.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.025 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.82 -31.22 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -80.59 -12.2 59.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.259 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 37.6 mtt-85 -53.31 -61.24 5.24 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.714 0.292 . . . . 0.0 111.101 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 45.8 Cg_endo -68.47 156.56 65.18 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.421 2.081 . . . . 0.0 112.319 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -134.13 104.58 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.977 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 59.54 32.57 21.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -109.94 -32.26 7.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -165.73 56.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.765 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.952 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.91 110.61 21.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.423 ' H ' HD12 ' A' ' 3' ' ' ILE . 2.0 mp -57.35 123.52 61.77 Favored Pre-proline 0 N--CA 1.453 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.26 -36.64 3.95 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.489 2.126 . . . . 0.0 112.316 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.732 ' HA ' HD12 ' A' ' 8' ' ' ILE . 5.3 t -59.74 -35.79 62.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.239 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.06 -35.29 80.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.73 91.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.9 mt -69.08 -45.69 79.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -50.96 70.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.185 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.708 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.8 pt20 -65.02 -38.23 90.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.763 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.14 68.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.21 -28.69 67.71 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.207 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -39.02 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.813 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.0 t -60.03 -34.3 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.7 mt -71.01 -32.18 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.86 -40.74 6.57 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.417 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -35.53 75.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.745 0.307 . . . . 0.0 110.515 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -73.25 -37.11 55.1 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.977 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.07 -34.38 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.513 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -74.27 -29.87 61.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.515 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.6 -42.76 58.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.412 HD12 ' O ' ' A' ' 18' ' ' GLY . 15.7 mt -66.85 -28.7 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.787 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.43 -41.27 80.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.629 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.3 mt -68.74 -36.51 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.57 -30.78 32.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.962 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.96 -34.9 83.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.283 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 31' ' ' VAL . 17.9 m -63.1 -58.17 8.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 0.0 110.785 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -57.97 -29.08 64.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.839 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.94 -22.78 59.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.4 -57.93 1.97 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.834 0.35 . . . . 0.0 111.095 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 27' ' ' THR . 11.6 t -52.17 -59.34 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.52 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -56.79 -27.75 26.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -33.28 73.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.6 -33.91 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.675 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.65 -31.5 13.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -138.85 76.27 34.69 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.68 -176.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.609 2.206 . . . . 0.0 112.333 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.78 30.64 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.776 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.88 102.74 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -77.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -111.92 90.45 3.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.811 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.935 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -86.94 -174.85 5.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.742 0.306 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.07 134.32 49.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.54 -27.28 5.23 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.576 2.184 . . . . 0.0 112.59 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.77 ' HA ' HD12 ' A' ' 8' ' ' ILE . 11.0 t -53.5 -35.71 26.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.563 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -32.37 72.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.728 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.24 83.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.723 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.77 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.7 mt -67.28 -45.78 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -56.89 -34.77 68.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.628 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -66.9 -33.3 75.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.731 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.15 95.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.794 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.84 -29.56 73.77 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.086 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -70.24 -38.86 75.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.592 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.9 t -58.78 -28.43 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.94 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.7 mt -60.16 -41.62 87.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.738 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.13 -53.86 7.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.206 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -35.06 73.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.426 . . . . 0.0 110.529 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.23 61.51 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.943 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mt -70.61 -37.68 73.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -28.62 63.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.93 -40.68 60.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.997 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.7 mt -68.4 -30.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.758 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -67.68 -36.18 80.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.665 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.3 mt -93.57 -27.59 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HA ' HG22 ' A' ' 28' ' ' THR . . . -57.52 -35.07 69.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.46 -26.93 60.2 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.535 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.8 m -81.52 -56.66 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.825 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.9 t -57.23 -35.35 69.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.35 -31.4 72.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.37 -54.89 9.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 31' ' ' VAL . 7.5 t -54.15 -40.09 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.357 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 28' ' ' THR . 40.5 t -67.81 -33.5 61.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -68.27 -36.58 79.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.667 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.41 -32.37 72.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.398 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -30.41 24.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.677 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.4 169.14 16.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.682 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -81.43 -50.3 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.553 2.169 . . . . 0.0 112.544 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 171.45 133.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.72 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.24 141.44 31.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.48 -33.5 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.966 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -107.38 133.7 51.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.2 m170 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.835 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.1 111.69 24.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.435 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -86.6 -52.75 0.43 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.97 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HD3' ' CB ' ' A' ' 3' ' ' ILE . 16.9 Cg_exo -67.33 67.36 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.572 2.181 . . . . 0.0 112.17 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.774 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.8 t -54.76 -33.91 29.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.305 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -33.91 76.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.683 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.76 -50.48 72.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.817 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.8 mt -62.0 -45.26 99.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -36.63 75.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.649 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.0 tt0 -72.92 -34.22 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.637 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.54 -34.44 72.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.935 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.673 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -69.85 -29.28 71.08 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.201 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -71.71 -40.37 69.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.3 t -58.25 -30.41 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.673 HD12 ' HA2' ' A' ' 12' ' ' GLY . 29.3 mt -65.34 -39.49 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.55 -37.09 92.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.297 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -57.74 -38.61 75.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.513 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.1 -38.31 92.26 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.773 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.738 ' HA ' HD12 ' A' ' 22' ' ' ILE . 11.3 mt -63.29 -40.25 96.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.845 0.355 . . . . 0.0 110.423 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -61.88 -35.08 77.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.74 -39.42 66.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.68 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 19' ' ' LEU . 8.5 mt -67.09 -24.43 32.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.849 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -70.55 -43.46 69.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.807 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt -76.59 -27.93 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.25 -29.71 20.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.8 -38.27 93.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.414 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.7 t -67.04 -45.55 77.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 110.57 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.582 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -67.84 -34.63 77.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.257 179.713 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.587 ' CE1' ' HE2' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -65.98 -32.3 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.519 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -53.02 41.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.506 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 27' ' ' THR . 12.7 t -53.58 -50.58 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.352 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 28' ' ' THR . 24.8 t -63.29 -30.59 50.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.819 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.9 t -68.22 -33.52 74.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.754 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -63.62 -32.15 73.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.448 . . . . 0.0 110.792 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -95.65 -31.75 13.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.735 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.43 92.73 8.11 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.757 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.34 150.57 81.13 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.544 2.163 . . . . 0.0 112.234 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.38 121.32 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.62 129.7 34.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.587 ' HE2' ' CE1' ' A' ' 29' ' ' HIS . 1.6 mtmp? -101.34 105.69 16.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.76 -53.08 4.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.8 p80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.909 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -82.3 148.9 28.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -55.19 108.18 1.09 Allowed Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.389 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.9 -25.19 28.19 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.388 2.058 . . . . 0.0 112.297 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.687 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.7 t -53.85 -30.82 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.389 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -59.8 -36.31 76.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.922 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.0 -53.89 52.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.8 mt -60.59 -43.84 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -56.21 -35.37 67.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' HG23 ' A' ' 14' ' ' VAL . 6.5 mt-30 -72.74 -36.98 67.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.787 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.67 -32.96 70.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.696 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.48 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -68.61 -33.64 76.83 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.146 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -39.46 91.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.755 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 10' ' ' GLN . 7.7 t -58.81 -32.09 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.17 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.48 HD12 ' HA2' ' A' ' 12' ' ' GLY . 25.3 mt -72.2 -35.81 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.081 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.17 -27.0 70.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.38 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -44.41 87.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.395 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.61 91.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.986 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -31.39 70.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.637 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -36.81 75.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.77 -42.18 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.709 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.4 mt -67.71 -28.29 41.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.739 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -69.14 -37.84 78.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.825 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.7 mt -82.22 -31.3 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.88 -33.47 74.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.73 -32.91 85.75 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.357 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.5 m -73.2 -48.59 33.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.812 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -58.85 -36.61 74.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.794 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -29.41 69.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.891 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.3 -53.59 5.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 27' ' ' THR . 8.2 t -51.91 -38.24 22.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.424 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 28' ' ' THR . 40.3 t -72.34 -32.31 42.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -30.13 63.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.715 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -69.0 -35.37 76.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.815 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -89.29 -31.99 17.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.752 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.411 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -123.49 53.85 6.39 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.805 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 36' ' ' ARG . 59.1 Cg_endo -72.17 62.54 3.38 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -98.7 31.35 2.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.76 -30.39 23.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -90.72 157.01 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.029 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.7 pttm 42.62 91.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.495 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.912 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.04 121.71 35.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.802 0.334 . . . . 0.0 110.945 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.4 ' CG2' ' CB ' ' A' ' 7' ' ' ALA . 23.8 mm -59.57 126.88 83.88 Favored Pre-proline 0 N--CA 1.452 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.19 164.81 32.31 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.365 2.043 . . . . 0.0 112.424 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.78 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.1 t -57.51 -25.05 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.343 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -37.53 69.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.4 ' CB ' ' CG2' ' A' ' 3' ' ' ILE . . . -58.72 -53.24 60.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.731 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.9 mt -62.0 -44.75 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.945 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -64.16 -30.7 71.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.701 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.864 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.7 tt0 -67.0 -38.08 85.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.72 78.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.13 -25.99 71.94 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.413 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -37.24 33.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 10' ' ' GLN . 6.1 t -58.94 -33.63 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.227 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.2 mt -72.35 -41.59 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.63 -29.71 42.55 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -37.44 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.425 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -70.7 -38.39 67.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.088 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -74.04 -35.24 64.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.835 0.35 . . . . 0.0 110.662 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -31.56 66.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.581 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.34 -42.99 58.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 18' ' ' GLY . 14.9 mt -68.54 -25.62 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.0 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -77.29 -44.43 29.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mt -78.5 -27.67 14.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.021 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -30.12 64.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.036 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.94 -32.5 69.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.47 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -76.81 -47.34 21.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.775 0.322 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.784 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -59.12 -32.05 69.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.79 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -32.3 72.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.712 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.61 -54.57 15.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.565 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.9 t -53.89 -41.03 47.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.166 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 28' ' ' THR . 24.7 t -68.84 -31.82 52.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.675 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -32.21 73.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -60.51 -41.26 93.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.547 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -76.07 -30.96 58.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.696 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.19 167.34 26.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.729 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.65 -169.16 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.419 2.079 . . . . 0.0 112.282 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -139.8 109.89 6.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.015 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 tptt 59.74 43.92 14.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.91 112.92 24.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -66.76 136.97 56.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.9 p80 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.914 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 118.03 6.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.445 HG22 HD11 ' A' ' 8' ' ' ILE . 2.8 mt -57.85 109.74 2.01 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -50.92 105.32 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.491 2.127 . . . . 0.0 112.352 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.635 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.8 t -57.13 -30.04 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.312 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -38.84 88.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.3 -52.02 67.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.8 mt -65.23 -43.66 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.078 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 tttm -48.79 -55.15 12.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.43 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -60.3 -39.14 85.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.53 -35.81 75.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.611 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.756 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -66.14 -30.91 77.75 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.172 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -43.06 90.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.83 0.348 . . . . 0.0 110.653 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 t -61.06 -34.49 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.062 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.756 HD12 ' HA2' ' A' ' 12' ' ' GLY . 41.8 mt -63.42 -40.04 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.665 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.35 94.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.105 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -61.9 -42.41 99.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.047 0.451 . . . . 0.0 110.352 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.39 -33.97 73.62 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.699 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.62 ' HA ' HD12 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -66.5 -37.4 84.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.786 0.327 . . . . 0.0 110.528 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -59.6 -37.1 77.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.76 -40.09 61.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.437 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 19' ' ' LEU . 9.4 mt -68.0 -26.86 35.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.601 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -36.99 83.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.586 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.7 mt -77.64 -47.54 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 28' ' ' THR . . . -70.98 -30.99 67.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.93 -33.47 85.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.441 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 m -59.74 -54.39 46.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.701 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.0 t -59.46 -36.29 75.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.536 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -31.82 72.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.702 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.21 -53.06 33.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.51 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 t -52.08 -40.03 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.204 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 28' ' ' THR . 25.1 t -71.35 -30.05 38.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.815 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.47 -32.23 68.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.691 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.47 -31.64 72.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.64 -26.62 20.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.824 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 175.73 0.27 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.92 -16.68 39.89 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.754 2.302 . . . . 0.0 112.688 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.6 mttp 65.44 42.87 3.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -177.63 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -96.58 117.38 30.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -64.26 152.45 40.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.973 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.811 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.412 -0.275 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 7' ' ' ALA . 1.0 OUTLIER 60.93 110.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.883 0.373 . . . . 0.0 110.939 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.549 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 2.8 mt -59.14 -51.91 78.38 Favored Pre-proline 0 N--CA 1.449 -0.498 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.718 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 3' ' ' ILE . 35.9 Cg_endo -65.17 125.81 15.27 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.163 1.908 . . . . 0.0 112.286 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.567 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.8 t -58.18 -27.35 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.393 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -62.52 -37.86 87.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.665 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 2' ' ' LYS . . . -59.02 -53.25 60.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.638 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 5' ' ' VAL . 2.0 mt -64.71 -44.15 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.035 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.17 -33.79 63.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.702 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.6 tm0? -66.96 -34.08 76.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.739 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.43 86.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.09 -34.16 87.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.152 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -66.88 -38.83 87.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 0.0 110.609 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.8 t -58.43 -28.04 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.64 -41.88 86.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.777 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.94 -52.3 29.35 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.133 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -37.13 77.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.856 0.36 . . . . 0.0 110.376 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.38 -35.55 76.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.791 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 22' ' ' ILE . 7.0 tt -68.57 -40.98 80.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.38 . . . . 0.0 110.507 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -29.09 66.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.739 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.69 -41.83 62.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.91 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 19' ' ' LEU . 7.8 mt -65.61 -31.44 53.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.714 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -38.15 90.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.605 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.1 mt -85.62 -31.59 6.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.65 -30.53 59.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.006 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.68 -33.94 68.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -46.22 55.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.63 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -62.18 -35.73 79.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.77 179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -30.97 71.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -53.62 18.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.759 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 31' ' ' VAL . 7.9 t -50.81 -39.92 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.346 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 28' ' ' THR . 39.6 t -67.64 -32.21 55.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.006 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -31.66 58.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.792 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.1 -34.34 59.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -82.97 -51.97 7.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.29 114.2 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.25 124.72 12.03 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.391 2.061 . . . . 0.0 112.207 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -67.91 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.43 139.35 31.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -81.14 91.41 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.68 134.22 24.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.111 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -129.72 132.24 46.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.817 HG22 HG23 ' A' ' 5' ' ' VAL . 4.1 mp -105.48 76.25 0.33 Allowed Pre-proline 0 N--CA 1.448 -0.542 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.88 62.2 1.83 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.497 2.132 . . . . 0.0 112.528 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 3' ' ' ILE . 12.3 t -61.7 -38.48 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.183 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -60.39 -36.24 77.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.673 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.58 77.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 5' ' ' VAL . 2.1 mt -68.98 -46.02 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.113 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -35.93 75.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -66.28 -38.22 87.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.97 81.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.31 -29.92 76.44 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.261 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -45.18 76.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.739 0.304 . . . . 0.0 110.718 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 t -60.56 -37.65 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.052 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.7 mt -73.23 -32.21 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.88 -33.92 28.72 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -35.16 72.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.686 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.77 -37.56 76.01 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.133 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -35.77 78.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.543 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -28.83 62.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.605 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.33 -40.91 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.2 mt -67.52 -29.8 46.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -74.52 -46.12 41.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.669 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.0 mt -74.73 -28.67 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.12 -31.47 61.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.55 -32.75 75.36 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.303 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -77.38 -41.72 39.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.824 0.345 . . . . 0.0 110.787 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.782 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -59.65 -33.76 71.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.697 179.772 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -30.25 68.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.766 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.69 -53.81 5.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 27' ' ' THR . 7.0 t -52.94 -44.09 48.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.48 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 28' ' ' THR . 41.3 t -65.73 -29.81 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -31.54 70.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -69.51 -34.76 74.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -87.42 -42.38 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.79 69.2 1.14 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.95 -167.93 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.523 2.149 . . . . 0.0 112.287 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.15 -55.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -137.46 97.97 3.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -160.64 -44.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -133.93 -45.37 0.79 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.11 135.18 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.547 HG22 ' HB3' ' A' ' 7' ' ' ALA . 11.9 mm -58.76 135.19 86.64 Favored Pre-proline 0 N--CA 1.453 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.599 ' HG2' ' HB2' ' A' ' 7' ' ' ALA . 63.8 Cg_endo -73.46 155.0 50.72 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.509 2.139 . . . . 0.0 112.276 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.82 ' HA ' HD12 ' A' ' 8' ' ' ILE . 5.0 t -60.06 -35.09 59.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -65.33 -34.08 77.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.633 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.599 ' HB2' ' HG2' ' A' ' 4' ' ' PRO . . . -62.09 -46.77 87.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.851 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 5' ' ' VAL . 2.1 mt -64.61 -46.93 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.012 0.434 . . . . 0.0 111.027 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -61.59 -39.89 92.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.872 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.6 mt-30 -68.61 -35.21 77.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.659 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.62 78.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.631 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -70.76 -27.41 72.42 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.419 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -39.88 30.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.308 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 10' ' ' GLN . 6.3 t -58.04 -35.17 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.631 HD12 ' HA2' ' A' ' 12' ' ' GLY . 13.5 mt -64.96 -33.85 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.755 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.98 -49.08 7.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.351 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -36.01 75.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.548 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.83 -35.11 62.01 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.909 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -35.27 72.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.597 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -70.45 -32.93 70.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.79 -42.7 63.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mt -67.34 -27.9 40.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.851 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -71.46 -42.38 68.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.787 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 mt -75.39 -40.62 42.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.015 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.06 -30.89 44.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.41 -33.84 87.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.396 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 m -66.07 -57.7 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.794 0.331 . . . . 0.0 110.79 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.821 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.6 t -59.72 -33.79 72.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.726 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -31.29 72.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.63 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.56 -55.13 8.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.676 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 t -54.07 -43.41 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.244 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 28' ' ' THR . 38.7 t -67.84 -33.23 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.707 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t -67.61 -31.69 71.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.634 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -62.48 -34.08 76.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -92.73 -30.97 15.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.59 168.31 13.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.71 -171.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.67 2.246 . . . . 0.0 112.373 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -90.83 -41.74 11.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.47 156.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.24 89.12 7.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -131.76 123.85 28.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.3 m80 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.934 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -95.68 15.24 20.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.634 0.254 . . . . 0.0 111.257 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 5' ' ' VAL . 38.0 mt -69.98 111.26 8.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.119 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 21.5 Cg_exo -65.3 69.65 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.596 2.197 . . . . 0.0 112.192 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.821 ' HA ' HD12 ' A' ' 8' ' ' ILE . 5.3 t -59.39 -37.18 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -67.62 -31.78 72.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.705 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 4' ' ' PRO . . . -65.68 -40.39 92.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.979 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.821 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.9 mt -71.91 -47.51 55.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -53.93 52.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.82 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.642 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.9 pp0? -62.45 -31.15 71.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.709 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.33 77.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.27 -29.7 71.86 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.159 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -71.4 -40.85 70.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.691 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.2 t -58.7 -34.42 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.976 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.4 mt -70.73 -31.22 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.14 -43.16 8.89 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.371 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.47 -41.4 94.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.387 . . . . 0.0 110.521 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.51 -33.37 72.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.013 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.2 tt -69.8 -34.47 73.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 110.537 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -36.64 80.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.663 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -45.51 67.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.1 mt -65.36 -28.69 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.795 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -69.8 -43.0 72.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.712 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt -74.79 -31.56 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.01 -35.51 72.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.55 -33.02 80.05 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.405 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.7 m -67.31 -39.23 85.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.911 0.386 . . . . 0.0 110.753 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.631 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -63.33 -34.72 78.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.644 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -61.49 -30.44 70.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.4 -53.8 12.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.73 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 t -51.44 -39.31 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.266 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 28' ' ' THR . 39.1 t -69.07 -34.82 65.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 t -66.72 -32.58 73.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -60.76 -34.13 73.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.541 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -92.64 -28.09 16.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.857 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ttp85 -152.49 87.77 4.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.067 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.28 115.18 2.12 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.578 2.186 . . . . 0.0 112.357 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -75.32 -21.97 58.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt 68.81 110.56 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -89.24 -71.83 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -97.89 -36.05 10.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.925 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.638 -0.185 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 147.13 37.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.692 0.282 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.61 107.9 0.98 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.449 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.48 102.21 1.59 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.508 2.139 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.501 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.4 t -57.72 -29.94 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.293 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -36.46 79.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.689 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.35 59.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.794 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 5' ' ' VAL . 2.2 mt -65.77 -44.38 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -62.09 -35.11 77.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.848 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.4 mm-40 -69.22 -36.24 77.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 -34.35 76.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.777 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -71.6 -27.85 70.38 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.323 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -39.85 49.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.74 0.305 . . . . 0.0 110.704 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.9 t -58.29 -32.52 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.777 HD12 ' HA2' ' A' ' 12' ' ' GLY . 12.7 mt -65.64 -40.33 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.941 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -28.67 69.37 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -59.84 -38.48 82.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.802 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.58 -36.63 76.72 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.135 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 22' ' ' ILE . 4.0 mt -68.49 -31.12 70.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.717 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -72.75 -35.83 67.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.716 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.13 -41.96 69.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.989 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 19' ' ' LEU . 7.2 mt -66.53 -29.7 47.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.755 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -67.27 -39.0 86.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -67.96 -31.58 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.029 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -31.24 72.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.66 -32.77 70.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 31' ' ' VAL . 70.6 m -66.89 -46.82 73.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.715 0.293 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -34.71 71.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.721 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -24.68 67.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.043 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.79 -54.2 3.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.053 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 27' ' ' THR . 10.6 t -50.82 -63.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.552 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.88 -25.69 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.42 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -31.74 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -91.51 -26.96 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -43.6 92.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.05 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -59.96 -61.5 7.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.002 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 36' ' ' ARG . 57.8 Cg_endo -71.39 -165.61 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.475 2.117 . . . . 0.0 112.381 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mptt 68.62 28.06 5.86 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 42.79 43.27 3.34 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.741 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 161.67 26.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 62.91 -178.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.161 -0.924 . . . . 0.0 110.915 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.23 124.8 46.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 mt -111.54 96.08 30.33 Favored Pre-proline 0 N--CA 1.45 -0.466 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.75 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.13 77.26 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.601 2.2 . . . . 0.0 112.589 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.722 ' HA ' HD12 ' A' ' 8' ' ' ILE . 3.1 t -64.13 -39.13 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -61.59 -33.41 73.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.715 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.24 -48.77 78.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.768 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.722 HD12 ' HA ' ' A' ' 5' ' ' VAL . 2.1 mt -65.2 -45.85 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.871 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -60.56 -46.6 89.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.628 ' O ' HG23 ' A' ' 14' ' ' VAL . 26.7 mt-30 -67.29 -32.94 74.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.622 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.18 77.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.15 -38.46 95.27 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.149 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -40.82 98.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.936 0.398 . . . . 0.0 110.846 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.4 t -58.51 -28.45 36.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.979 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.5 -44.18 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.991 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.91 -49.32 17.54 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.286 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -35.05 69.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.867 0.365 . . . . 0.0 110.566 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.4 -37.06 79.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.831 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.668 ' HA ' HD12 ' A' ' 22' ' ' ILE . 5.8 tt -67.19 -41.77 85.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.316 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.26 -27.01 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.579 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.98 -40.79 64.98 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 19' ' ' LEU . 6.7 mt -63.06 -30.89 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.879 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -73.81 -45.3 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.1 mt -76.47 -27.9 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.083 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.23 -40.08 70.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.281 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.25 -34.0 69.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.377 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 31' ' ' VAL . 18.4 p -75.0 -50.67 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 110.842 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 t -58.06 -24.9 60.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.9 -22.34 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.133 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.97 -58.41 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 0.0 111.197 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 27' ' ' THR . 11.5 t -50.08 -47.61 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.746 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.68 -30.47 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -30.33 65.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -79.2 -38.38 35.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -85.33 -44.49 12.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 61.37 86.09 0.16 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.49 -22.52 24.62 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.522 2.148 . . . . 0.0 112.417 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.03 30.33 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.29 64.58 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.938 0.399 . . . . 0.0 110.8 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -88.28 150.65 23.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.96 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.45 141.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.5 m80 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.92 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 112.576 -0.21 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.45 129.51 37.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.81 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.424 ' H ' HD12 ' A' ' 3' ' ' ILE . 2.4 mp -53.15 107.59 0.89 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.321 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.34 -1.19 11.34 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.468 2.112 . . . . 0.0 112.857 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.815 ' HA ' HD12 ' A' ' 8' ' ' ILE . 40.6 t -57.47 -30.74 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-O 120.918 0.39 . . . . 0.0 111.29 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -30.36 66.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.919 0.39 . . . . 0.0 110.589 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.14 -45.0 82.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.663 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 5' ' ' VAL . 2.1 mt -65.55 -46.73 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.979 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -58.19 -41.46 83.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.669 ' O ' HG23 ' A' ' 14' ' ' VAL . 38.4 tt0 -72.03 -36.06 69.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.612 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.93 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.687 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.88 74.4 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.956 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -73.4 -41.69 63.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 110.654 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 10' ' ' GLN . 4.4 t -61.13 -37.76 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.024 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -70.83 -36.98 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.797 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.54 -28.46 71.05 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.218 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -37.88 74.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.929 0.395 . . . . 0.0 110.653 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.69 -40.93 76.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.029 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.2 mt -69.71 -33.67 72.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.398 . . . . 0.0 110.499 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -31.96 63.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.434 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.53 -42.11 65.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 19' ' ' LEU . 7.6 mt -66.2 -30.01 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.867 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -73.3 -46.99 46.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.1 mt -69.4 -27.97 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.01 -40.57 76.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.952 0.406 . . . . 0.0 111.038 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.87 -32.25 81.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.325 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.7 m -77.62 -46.49 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.632 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.685 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -60.24 -37.17 79.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.719 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -60.58 -30.48 69.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.678 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -54.87 7.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 t -52.43 -37.42 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.294 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 28' ' ' THR . 37.1 t -74.39 -29.94 25.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -29.1 60.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.616 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.87 -34.05 73.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.767 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -49.99 4.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 60.85 67.92 1.39 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.01 -178.27 2.73 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.517 2.145 . . . . 0.0 112.294 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.74 85.28 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.012 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -146.34 124.47 12.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 84.8 mttt 60.24 79.2 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -67.75 -48.46 66.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.0 m80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.947 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt 63.38 15.64 8.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.693 0.282 . . . . 0.0 111.455 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -56.27 108.67 1.28 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.196 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.87 -37.64 92.75 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.481 2.121 . . . . 0.0 112.135 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.654 ' HA ' HD12 ' A' ' 8' ' ' ILE . 5.1 t -59.7 -30.8 45.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.242 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -37.85 80.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.77 -53.55 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.564 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.5 mt -63.31 -44.95 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.977 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.09 -36.68 70.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.547 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -72.89 -38.69 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.51 72.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.429 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -68.07 -34.52 81.6 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.058 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -40.49 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.835 0.35 . . . . 0.0 110.482 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 10' ' ' GLN . 4.9 t -59.48 -35.18 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.017 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.429 HD12 ' HA2' ' A' ' 12' ' ' GLY . 41.0 mt -68.99 -41.49 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.645 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.67 -29.08 73.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.165 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -58.77 -37.48 76.38 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.957 0.408 . . . . 0.0 110.754 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.9 -39.53 85.27 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.815 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -64.37 -33.34 75.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.418 179.551 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.649 ' HD3' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -71.46 -35.62 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.441 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.36 -41.95 79.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 19' ' ' LEU . 12.5 mt -66.11 -31.88 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.661 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.16 -46.91 60.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.553 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.649 HD11 ' HD3' ' A' ' 20' ' ' ARG . 17.4 mt -71.13 -25.92 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.989 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.47 -36.41 64.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.63 -31.95 68.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.181 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -68.18 -54.89 14.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.792 0.33 . . . . 0.0 110.56 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.813 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.8 t -61.65 -38.64 88.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -32.75 74.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -53.77 30.26 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.574 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 27' ' ' THR . 10.0 t -53.17 -42.39 46.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.999 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 28' ' ' THR . 41.5 t -61.75 -44.12 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.881 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -57.92 -30.25 65.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.76 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -73.65 -30.1 62.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.612 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -107.61 23.98 13.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.54 169.37 7.91 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.78 171.24 18.25 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.52 2.146 . . . . 0.0 112.395 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 pttm -87.43 -31.2 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -102.38 154.34 19.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.68 125.64 25.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 129.97 39.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.9 p80 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.987 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.109 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.59 125.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 110.75 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.417 ' H ' HD12 ' A' ' 3' ' ' ILE . 2.3 mp -47.27 104.24 0.4 Allowed Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.511 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -83.52 -29.61 1.05 Allowed 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.69 2.26 . . . . 0.0 112.464 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.487 ' HA ' HD12 ' A' ' 8' ' ' ILE . 5.9 t -58.31 -30.5 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.399 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -59.86 -40.25 87.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.31 -53.59 56.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 5' ' ' VAL . 2.0 mt -66.78 -43.3 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.042 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -48.42 -32.34 7.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.197 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.584 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -68.85 -46.81 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.966 0.412 . . . . 0.0 110.814 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.0 75.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.707 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.21 -27.44 71.79 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.193 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -72.53 -40.26 66.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.899 0.38 . . . . 0.0 110.734 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 10' ' ' GLN . 4.4 t -61.54 -42.43 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.0 mt -72.19 -31.45 39.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.815 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.38 -29.92 51.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.285 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -59.93 -37.59 79.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.941 0.4 . . . . 0.0 110.647 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.03 85.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.073 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.537 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.5 mt -68.51 -38.18 80.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 110.487 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -32.54 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.444 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -42.36 75.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.826 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 19' ' ' LEU . 6.5 mt -66.11 -28.08 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.33 -34.26 76.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.769 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.13 -44.68 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.14 83.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.99 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.2 -33.15 77.56 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.264 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.601 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.0 m -71.57 -48.54 47.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.686 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.732 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -59.8 -35.37 74.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.754 179.726 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -31.2 69.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.706 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -53.98 10.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.894 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 27' ' ' THR . 9.4 t -51.7 -41.07 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.236 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 28' ' ' THR . 32.3 t -72.64 -34.61 48.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.654 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -71.81 -29.48 64.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.495 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -32.56 73.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.771 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.69 -45.57 8.38 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 tpt85 59.95 93.37 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.01 107.26 1.48 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.48 2.12 . . . . 0.0 112.226 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -50.67 70.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.9 tttp 60.79 30.84 19.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.44 -76.87 0.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.34 159.18 18.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.988 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.915 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.12 106.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.71 0.29 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.465 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.7 OUTLIER -63.06 -48.2 84.72 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.149 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 3' ' ' ILE . 25.7 Cg_exo -63.03 -56.33 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.573 2.182 . . . . 0.0 112.122 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.736 ' HA ' HD12 ' A' ' 8' ' ' ILE . 17.7 t -56.53 -27.82 25.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.497 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -58.35 -38.11 76.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.83 -51.86 68.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.8 mt -65.05 -44.97 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.948 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -34.38 75.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.863 ' O ' HG23 ' A' ' 14' ' ' VAL . 2.7 mt-30 -66.86 -38.46 86.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.64 -38.17 89.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.013 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.583 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -70.77 -26.87 73.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.348 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -38.88 46.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.3 t -58.34 -31.74 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.29 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.583 HD12 ' HA2' ' A' ' 12' ' ' GLY . 29.6 mt -62.51 -45.37 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.73 -42.56 8.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.237 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 3.2 mttt -58.97 -32.64 69.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.813 0.339 . . . . 0.0 110.409 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.35 -33.62 85.49 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.99 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.81 -51.92 17.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 110.403 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -14.94 63.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.803 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . -83.37 -39.08 21.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.031 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.06 -30.25 43.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.811 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -72.05 -40.93 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.5 mt -82.62 -27.5 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.38 -28.65 59.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.5 -31.59 62.95 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.69 -51.68 13.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.752 0.31 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.782 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.2 t -56.33 -33.31 65.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.686 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.27 -30.61 69.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -55.6 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 t -54.84 -48.34 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.535 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 28' ' ' THR . 42.7 t -59.79 -31.18 46.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.039 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t -66.07 -42.9 88.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -75.43 -35.27 61.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.517 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -107.14 46.54 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.47 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -52.36 131.72 43.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.53 136.61 40.08 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.553 2.169 . . . . 0.0 112.183 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -55.58 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 148.29 40.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -146.52 157.23 43.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -109.35 61.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.573 -0.211 . . . . 0.0 112.573 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.656 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -78.23 136.1 37.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.373 . . . . 0.0 110.859 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.447 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -73.41 -49.33 6.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.23 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 3' ' ' ILE . 94.1 Cg_endo -84.53 49.32 2.66 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.636 2.224 . . . . 0.0 112.684 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.785 ' HA ' HD12 ' A' ' 8' ' ' ILE . 60.9 t -83.09 -32.94 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -61.55 -36.22 79.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.57 -43.07 93.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 5' ' ' VAL . 3.1 mt -69.37 -51.74 39.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -53.34 56.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.091 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.634 ' O ' HG23 ' A' ' 14' ' ' VAL . 2.3 tt0 -63.25 -32.78 74.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.39 -38.09 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.993 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.429 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -68.55 -24.62 75.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.281 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -41.44 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 10' ' ' GLN . 6.2 t -59.81 -33.47 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.277 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.429 HD12 ' HA2' ' A' ' 12' ' ' GLY . 48.6 mt -65.68 -40.76 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.56 -39.38 90.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.384 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -53.32 59.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.574 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.43 -31.08 78.27 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.754 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -66.15 -37.73 86.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 110.519 179.58 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -40.37 81.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.741 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.94 -42.02 67.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.593 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.9 mt -68.57 -25.65 31.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.803 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.65 ' O ' HG22 ' A' ' 27' ' ' THR . 3.9 t-20 -70.36 -37.02 74.51 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.808 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt -68.43 -29.23 43.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.2 -27.14 18.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.193 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.29 -30.46 30.69 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.476 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 23' ' ' ASN . 7.3 t -70.35 -38.85 74.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.89 0.376 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.805 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.0 t -66.63 -30.54 70.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.18 -29.52 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -54.92 6.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 t -51.52 -43.9 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.445 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 28' ' ' THR . 30.0 t -64.6 -29.62 47.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.186 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.73 -26.95 44.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.37 -36.23 15.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.051 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.19 -29.51 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 10.0 mmm-85 -58.29 -61.4 7.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 36' ' ' ARG . 52.7 Cg_endo -69.57 151.74 70.17 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.329 2.019 . . . . 0.0 112.343 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -169.29 34.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -140.27 145.07 36.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.13 149.32 26.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.59 179.17 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.966 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.853 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.78 102.04 11.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.674 0.273 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mt -64.66 110.29 3.87 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.76 142.98 59.77 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.375 2.05 . . . . 0.0 112.294 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.71 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.6 t -56.91 -32.13 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.331 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -60.84 -35.89 77.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.772 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.75 -52.25 66.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.9 mt -62.49 -44.78 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.978 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -58.32 -33.65 69.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -62.07 -35.3 78.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.672 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.14 76.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.28 -28.94 72.15 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.293 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -40.31 68.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.769 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.4 t -57.89 -30.85 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.167 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.5 mt -65.03 -34.07 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.95 -31.63 57.72 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.394 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -58.43 -40.02 81.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.418 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.4 -37.09 79.13 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.141 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.78 -30.91 68.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.644 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -70.6 -38.21 73.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.7 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.37 -43.06 70.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.819 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mt -66.53 -28.5 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.786 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -39.21 83.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.3 mt -69.32 -32.41 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.966 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.23 -31.05 72.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.991 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.91 -34.2 89.25 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.208 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -65.12 -55.13 20.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.77 0.319 . . . . 0.0 110.716 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.751 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.6 t -59.68 -32.91 70.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -30.36 71.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.912 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.1 -55.13 5.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 27' ' ' THR . 6.7 t -52.58 -47.13 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.302 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 28' ' ' THR . 39.5 t -65.4 -31.72 55.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.82 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.6 t -68.99 -29.75 68.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.43 8.29 45.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.35 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.31 -40.39 2.81 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.77 0.319 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 1.7 ttp85 -59.43 -61.09 8.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 50.2 Cg_endo -69.21 146.99 65.38 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.507 2.138 . . . . 0.0 112.358 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.21 30.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -57.7 129.75 43.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.73 38.49 1.8 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -74.68 69.33 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.801 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.752 0.31 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.0 mm-40 -66.93 -34.24 77.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.775 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.77 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.17 -28.92 72.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.344 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -39.8 68.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 110.748 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.4 t -58.66 -34.28 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.0 mt -64.14 -38.49 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.792 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 -46.43 5.99 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.303 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -35.89 77.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.957 0.408 . . . . 0.0 110.443 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.91 -35.83 65.31 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.831 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -39.31 83.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.792 0.33 . . . . 0.0 110.47 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -27.62 63.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.57 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.38 -42.58 61.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.962 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 mt -64.5 -31.72 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.94 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -68.01 -37.84 81.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.6 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.172 179.821 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.565 0.221 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.577 ' O ' HG23 ' A' ' 14' ' ' VAL . 2.9 tt0 -70.35 -35.15 73.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.838 0.352 . . . . 0.0 110.84 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.27 -34.02 72.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.042 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.585 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -69.52 -28.28 72.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.307 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -41.19 65.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.2 t -59.38 -31.54 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.333 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.585 HD12 ' HA2' ' A' ' 12' ' ' GLY . 24.2 mt -69.79 -41.64 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.05 -34.01 65.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.434 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -32.52 69.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.71 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.2 -37.17 59.71 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.159 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -69.6 -33.93 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.676 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -75.0 -29.8 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.96 61.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 mt -69.63 -27.52 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.935 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.16 -41.46 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.948 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.915 0.388 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.708 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.8 pt20 -65.02 -38.23 90.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.763 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.14 68.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.21 -28.69 67.71 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.207 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -39.02 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.813 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.0 t -60.03 -34.3 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.7 mt -71.01 -32.18 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.86 -40.74 6.57 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.417 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -35.53 75.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.745 0.307 . . . . 0.0 110.515 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -73.25 -37.11 55.1 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.977 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.07 -34.38 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.513 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -74.27 -29.87 61.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.515 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.6 -42.76 58.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.412 HD12 ' O ' ' A' ' 18' ' ' GLY . 15.7 mt -66.85 -28.7 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.787 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.43 -41.27 80.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.629 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 179.82 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 mttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.715 0.293 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.628 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -66.9 -33.3 75.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.731 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.15 95.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.794 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.84 -29.56 73.77 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.086 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -70.24 -38.86 75.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.592 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.9 t -58.78 -28.43 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.94 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.7 mt -60.16 -41.62 87.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.738 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.13 -53.86 7.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.206 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -35.06 73.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.426 . . . . 0.0 110.529 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.23 61.51 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.943 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mt -70.61 -37.68 73.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -28.62 63.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.93 -40.68 60.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.997 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.7 mt -68.4 -30.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.758 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -67.68 -36.18 80.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.665 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.3 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.847 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.725 0.298 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.649 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.0 tt0 -72.92 -34.22 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.637 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.54 -34.44 72.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.935 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.673 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -69.85 -29.28 71.08 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.201 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -71.71 -40.37 69.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.3 t -58.25 -30.41 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.673 HD12 ' HA2' ' A' ' 12' ' ' GLY . 29.3 mt -65.34 -39.49 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.55 -37.09 92.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.297 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -57.74 -38.61 75.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.513 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.1 -38.31 92.26 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.773 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.738 ' HA ' HD12 ' A' ' 22' ' ' ILE . 11.3 mt -63.29 -40.25 96.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.845 0.355 . . . . 0.0 110.423 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -61.88 -35.08 77.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.74 -39.42 66.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.68 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 19' ' ' LEU . 8.5 mt -67.09 -24.43 32.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.849 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -70.55 -43.46 69.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.807 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.049 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.861 0.362 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' HG23 ' A' ' 14' ' ' VAL . 6.5 mt-30 -72.74 -36.98 67.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.787 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.67 -32.96 70.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.696 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.48 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -68.61 -33.64 76.83 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.146 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -39.46 91.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.755 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 10' ' ' GLN . 7.7 t -58.81 -32.09 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.17 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.48 HD12 ' HA2' ' A' ' 12' ' ' GLY . 25.3 mt -72.2 -35.81 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.081 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.17 -27.0 70.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.38 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -44.41 87.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.395 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.61 91.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.986 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -31.39 70.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.637 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -36.81 75.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.77 -42.18 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.709 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.4 mt -67.71 -28.29 41.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.739 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -69.14 -37.84 78.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.825 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.7 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.78 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.677 0.275 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.864 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.7 tt0 -67.0 -38.08 85.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.72 78.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.13 -25.99 71.94 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.413 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -37.24 33.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 10' ' ' GLN . 6.1 t -58.94 -33.63 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.227 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.2 mt -72.35 -41.59 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.63 -29.71 42.55 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -37.44 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.425 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -70.7 -38.39 67.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.088 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -74.04 -35.24 64.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.835 0.35 . . . . 0.0 110.662 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -31.56 66.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.581 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.34 -42.99 58.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 18' ' ' GLY . 14.9 mt -68.54 -25.62 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.0 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -77.29 -44.43 29.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.021 179.913 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 tttm . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.871 0.367 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -60.3 -39.14 85.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.53 -35.81 75.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.611 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.756 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -66.14 -30.91 77.75 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.172 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -43.06 90.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.83 0.348 . . . . 0.0 110.653 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 t -61.06 -34.49 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.062 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.756 HD12 ' HA2' ' A' ' 12' ' ' GLY . 41.8 mt -63.42 -40.04 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.665 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.35 94.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.105 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -61.9 -42.41 99.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.047 0.451 . . . . 0.0 110.352 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.39 -33.97 73.62 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.699 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.62 ' HA ' HD12 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -66.5 -37.4 84.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.786 0.327 . . . . 0.0 110.528 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -59.6 -37.1 77.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.76 -40.09 61.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.437 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 19' ' ' LEU . 9.4 mt -68.0 -26.86 35.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.601 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -36.99 83.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.586 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.7 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.792 0.329 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.702 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.6 tm0? -66.96 -34.08 76.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.739 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.43 86.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.09 -34.16 87.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.152 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -66.88 -38.83 87.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 0.0 110.609 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.8 t -58.43 -28.04 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.64 -41.88 86.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.777 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.94 -52.3 29.35 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.133 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -37.13 77.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.856 0.36 . . . . 0.0 110.376 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.38 -35.55 76.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.791 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 22' ' ' ILE . 7.0 tt -68.57 -40.98 80.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.38 . . . . 0.0 110.507 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -29.09 66.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.739 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.69 -41.83 62.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.91 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 19' ' ' LEU . 7.8 mt -65.61 -31.44 53.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.714 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -38.15 90.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.605 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.1 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.903 179.812 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.919 0.39 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -66.28 -38.22 87.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.97 81.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.31 -29.92 76.44 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.261 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -45.18 76.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.739 0.304 . . . . 0.0 110.718 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 t -60.56 -37.65 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.052 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.7 mt -73.23 -32.21 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.88 -33.92 28.72 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -35.16 72.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.686 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.77 -37.56 76.01 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.133 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -35.77 78.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.543 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -28.83 62.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.605 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.33 -40.91 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.2 mt -67.52 -29.8 46.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -74.52 -46.12 41.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.669 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.043 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 tttm . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.805 0.336 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.872 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.6 mt-30 -68.61 -35.21 77.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.659 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.62 78.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.631 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -70.76 -27.41 72.42 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.419 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -39.88 30.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.308 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 10' ' ' GLN . 6.3 t -58.04 -35.17 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.631 HD12 ' HA2' ' A' ' 12' ' ' GLY . 13.5 mt -64.96 -33.85 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.755 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.98 -49.08 7.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.351 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -36.01 75.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.548 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.83 -35.11 62.01 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.909 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -35.27 72.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.597 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -70.45 -32.93 70.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.79 -42.7 63.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mt -67.34 -27.9 40.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.851 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -71.46 -42.38 68.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.787 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.015 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.642 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.9 pp0? -62.45 -31.15 71.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.709 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.33 77.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.27 -29.7 71.86 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.159 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -71.4 -40.85 70.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.691 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.2 t -58.7 -34.42 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.976 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.4 mt -70.73 -31.22 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.14 -43.16 8.89 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.371 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.47 -41.4 94.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.387 . . . . 0.0 110.521 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.51 -33.37 72.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.013 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.2 tt -69.8 -34.47 73.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 110.537 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -36.64 80.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.663 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -45.51 67.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.1 mt -65.36 -28.69 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.795 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -69.8 -43.0 72.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.712 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.802 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttt . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.846 0.355 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.848 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.4 mm-40 -69.22 -36.24 77.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 -34.35 76.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.777 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -71.6 -27.85 70.38 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.323 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -39.85 49.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.74 0.305 . . . . 0.0 110.704 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.9 t -58.29 -32.52 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.777 HD12 ' HA2' ' A' ' 12' ' ' GLY . 12.7 mt -65.64 -40.33 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.941 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -28.67 69.37 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -59.84 -38.48 82.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.802 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.58 -36.63 76.72 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.135 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 22' ' ' ILE . 4.0 mt -68.49 -31.12 70.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.717 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -72.75 -35.83 67.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.716 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.13 -41.96 69.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.989 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 19' ' ' LEU . 7.2 mt -66.53 -29.7 47.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.755 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -67.27 -39.0 86.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.029 179.845 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.936 0.398 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.628 ' O ' HG23 ' A' ' 14' ' ' VAL . 26.7 mt-30 -67.29 -32.94 74.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.622 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.18 77.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.15 -38.46 95.27 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.149 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -40.82 98.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.936 0.398 . . . . 0.0 110.846 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.4 t -58.51 -28.45 36.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.979 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.5 -44.18 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.991 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.91 -49.32 17.54 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.286 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -35.05 69.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.867 0.365 . . . . 0.0 110.566 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.4 -37.06 79.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.831 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.668 ' HA ' HD12 ' A' ' 22' ' ' ILE . 5.8 tt -67.19 -41.77 85.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.316 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.26 -27.01 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.579 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.98 -40.79 64.98 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 19' ' ' LEU . 6.7 mt -63.06 -30.89 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.879 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -73.81 -45.3 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.083 179.75 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 tttm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.669 ' O ' HG23 ' A' ' 14' ' ' VAL . 38.4 tt0 -72.03 -36.06 69.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.612 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.93 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.687 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.88 74.4 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.956 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -73.4 -41.69 63.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 110.654 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 10' ' ' GLN . 4.4 t -61.13 -37.76 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.024 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -70.83 -36.98 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.797 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.54 -28.46 71.05 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.218 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -37.88 74.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.929 0.395 . . . . 0.0 110.653 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.69 -40.93 76.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.029 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.2 mt -69.71 -33.67 72.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.398 . . . . 0.0 110.499 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -31.96 63.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.434 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.53 -42.11 65.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 19' ' ' LEU . 7.6 mt -66.2 -30.01 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.867 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -73.3 -46.99 46.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.547 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -72.89 -38.69 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.51 72.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.429 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -68.07 -34.52 81.6 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.058 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -40.49 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.835 0.35 . . . . 0.0 110.482 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 10' ' ' GLN . 4.9 t -59.48 -35.18 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.017 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.429 HD12 ' HA2' ' A' ' 12' ' ' GLY . 41.0 mt -68.99 -41.49 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.645 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.67 -29.08 73.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.165 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -58.77 -37.48 76.38 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.957 0.408 . . . . 0.0 110.754 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.9 -39.53 85.27 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.815 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -64.37 -33.34 75.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.418 179.551 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.649 ' HD3' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -71.46 -35.62 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.441 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.36 -41.95 79.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 19' ' ' LEU . 12.5 mt -66.11 -31.88 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.661 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.16 -46.91 60.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.553 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.649 HD11 ' HD3' ' A' ' 20' ' ' ARG . 17.4 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.989 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.805 0.336 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.584 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -68.85 -46.81 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.966 0.412 . . . . 0.0 110.814 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.0 75.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.707 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.21 -27.44 71.79 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.193 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -72.53 -40.26 66.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.899 0.38 . . . . 0.0 110.734 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 10' ' ' GLN . 4.4 t -61.54 -42.43 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.0 mt -72.19 -31.45 39.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.815 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.38 -29.92 51.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.285 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -59.93 -37.59 79.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.941 0.4 . . . . 0.0 110.647 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.03 85.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.073 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.537 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.5 mt -68.51 -38.18 80.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 110.487 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -32.54 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.444 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -42.36 75.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.826 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 19' ' ' LEU . 6.5 mt -66.11 -28.08 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.33 -34.26 76.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.769 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.905 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.863 ' O ' HG23 ' A' ' 14' ' ' VAL . 2.7 mt-30 -66.86 -38.46 86.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.64 -38.17 89.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.013 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.583 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -70.77 -26.87 73.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.348 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -38.88 46.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.3 t -58.34 -31.74 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.29 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.583 HD12 ' HA2' ' A' ' 12' ' ' GLY . 29.6 mt -62.51 -45.37 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.73 -42.56 8.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.237 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 3.2 mttt -58.97 -32.64 69.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.813 0.339 . . . . 0.0 110.409 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.35 -33.62 85.49 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.99 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.81 -51.92 17.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 110.403 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -14.94 63.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.803 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . -83.37 -39.08 21.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.031 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.06 -30.25 43.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.811 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -72.05 -40.93 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.523 -0.073 0 CA-C-O 120.952 0.406 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.634 ' O ' HG23 ' A' ' 14' ' ' VAL . 2.3 tt0 -63.25 -32.78 74.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.39 -38.09 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.993 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.429 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -68.55 -24.62 75.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.281 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -41.44 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 10' ' ' GLN . 6.2 t -59.81 -33.47 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.277 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.429 HD12 ' HA2' ' A' ' 12' ' ' GLY . 48.6 mt -65.68 -40.76 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.56 -39.38 90.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.384 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -53.32 59.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.574 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.43 -31.08 78.27 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.754 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -66.15 -37.73 86.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 110.519 179.58 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -40.37 81.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.741 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.94 -42.02 67.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.593 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.9 mt -68.57 -25.65 31.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.803 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -70.36 -37.02 74.51 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.808 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.824 0.345 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -62.07 -35.3 78.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.672 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.14 76.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.28 -28.94 72.15 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.293 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -40.31 68.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.769 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.4 t -57.89 -30.85 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.167 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.5 mt -65.03 -34.07 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.95 -31.63 57.72 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.394 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -58.43 -40.02 81.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.418 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.4 -37.09 79.13 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.141 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.78 -30.91 68.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.644 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -70.6 -38.21 73.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.7 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.37 -43.06 70.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.819 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mt -66.53 -28.5 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.786 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -39.21 83.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.966 179.74 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.15 108.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.683 0.278 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.67 108.95 1.38 Allowed Pre-proline 0 N--CA 1.452 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.188 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.54 58.94 5.39 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.492 2.128 . . . . 0.0 112.346 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.701 ' HA ' HD12 ' A' ' 8' ' ' ILE . 4.9 t -59.68 -35.74 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -35.25 76.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.7 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.26 -51.38 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.872 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.9 mt -63.51 -45.19 98.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -33.58 76.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.763 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.0 mm-40 -66.93 -34.24 77.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.775 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.77 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.17 -28.92 72.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.344 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -39.8 68.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 110.748 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.4 t -58.66 -34.28 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.0 mt -64.14 -38.49 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.792 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 -46.43 5.99 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.303 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -35.89 77.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.957 0.408 . . . . 0.0 110.443 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.91 -35.83 65.31 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.831 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -39.31 83.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.792 0.33 . . . . 0.0 110.47 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -27.62 63.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.57 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.38 -42.58 61.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.962 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 mt -64.5 -31.72 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.94 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -68.01 -37.84 81.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.531 ' O ' HG22 ' A' ' 27' ' ' THR . 29.6 mt -84.46 -24.64 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.172 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.94 -28.25 61.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.183 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.21 -43.92 87.93 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.562 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.9 t -72.71 -38.38 67.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 0.0 110.777 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -64.38 -32.85 74.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.531 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.5 -31.15 71.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.804 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -50.77 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.747 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 27' ' ' THR . 10.4 t -46.88 -43.61 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.492 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 28' ' ' THR . 47.3 t -57.8 -29.33 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.158 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -66.77 -31.39 72.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.77 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.73 -43.43 89.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.803 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -77.72 -58.44 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 63.14 121.72 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.97 128.25 13.83 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.352 2.034 . . . . 0.0 112.319 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -153.25 97.82 2.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -109.42 152.19 25.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 156.81 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.19 171.61 14.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.91 101.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.461 HD12 ' HD3' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -69.76 -49.36 20.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' HD3' HD12 ' A' ' 3' ' ' ILE . 19.8 Cg_exo -66.35 68.39 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.649 2.233 . . . . 0.0 112.292 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.847 ' HA ' HD12 ' A' ' 8' ' ' ILE . 37.1 t -64.4 -32.83 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.296 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -72.49 -27.41 62.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.56 -32.09 67.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.847 HD12 ' HA ' ' A' ' 5' ' ' VAL . 2.2 mt -78.68 -50.25 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.021 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -28.39 65.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.125 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.577 ' O ' HG23 ' A' ' 14' ' ' VAL . 2.9 tt0 -70.35 -35.15 73.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.838 0.352 . . . . 0.0 110.84 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.27 -34.02 72.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.042 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.585 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -69.52 -28.28 72.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.307 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -41.19 65.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.2 t -59.38 -31.54 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.333 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.585 HD12 ' HA2' ' A' ' 12' ' ' GLY . 24.2 mt -69.79 -41.64 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.05 -34.01 65.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.434 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -32.52 69.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.71 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.2 -37.17 59.71 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.159 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -69.6 -33.93 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.676 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -75.0 -29.8 60.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.752 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.96 61.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 mt -69.63 -27.52 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.935 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.16 -41.46 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.3 mt -72.83 -34.65 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.948 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.97 -27.2 60.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.82 -29.69 50.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.592 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -52.12 47.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.792 0.33 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.0 t -57.62 -32.31 67.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.09 -29.25 70.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.79 -53.23 14.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.4 t -48.52 -37.53 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.507 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 28' ' ' THR . 38.1 t -72.66 -29.6 30.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -28.96 60.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.025 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.82 -31.22 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -80.59 -12.2 59.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.259 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 37.6 mtt-85 -53.31 -61.24 5.24 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.714 0.292 . . . . 0.0 111.101 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 45.8 Cg_endo -68.47 156.56 65.18 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.421 2.081 . . . . 0.0 112.319 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -134.13 104.58 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.977 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 59.54 32.57 21.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -109.94 -32.26 7.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -165.73 56.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.765 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.952 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.91 110.61 21.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.423 ' H ' HD12 ' A' ' 3' ' ' ILE . 2.0 mp -57.35 123.52 61.77 Favored Pre-proline 0 N--CA 1.453 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.26 -36.64 3.95 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.489 2.126 . . . . 0.0 112.316 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.732 ' HA ' HD12 ' A' ' 8' ' ' ILE . 5.3 t -59.74 -35.79 62.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.239 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.06 -35.29 80.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.73 91.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.9 mt -69.08 -45.69 79.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -50.96 70.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.185 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.708 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.8 pt20 -65.02 -38.23 90.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.763 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.14 68.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.21 -28.69 67.71 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.207 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -39.02 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.813 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.0 t -60.03 -34.3 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.7 mt -71.01 -32.18 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.86 -40.74 6.57 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.417 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -35.53 75.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.745 0.307 . . . . 0.0 110.515 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -73.25 -37.11 55.1 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.977 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.07 -34.38 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.513 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -74.27 -29.87 61.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.515 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.6 -42.76 58.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.412 HD12 ' O ' ' A' ' 18' ' ' GLY . 15.7 mt -66.85 -28.7 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.787 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.43 -41.27 80.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.629 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.3 mt -68.74 -36.51 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.57 -30.78 32.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.962 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.96 -34.9 83.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.283 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 31' ' ' VAL . 17.9 m -63.1 -58.17 8.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 0.0 110.785 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -57.97 -29.08 64.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.839 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.94 -22.78 59.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.4 -57.93 1.97 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.834 0.35 . . . . 0.0 111.095 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 27' ' ' THR . 11.6 t -52.17 -59.34 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.52 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -56.79 -27.75 26.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -33.28 73.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.6 -33.91 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.675 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.65 -31.5 13.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -138.85 76.27 34.69 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.68 -176.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.609 2.206 . . . . 0.0 112.333 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.78 30.64 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.776 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.88 102.74 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -77.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -111.92 90.45 3.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.811 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.935 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -86.94 -174.85 5.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.742 0.306 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.07 134.32 49.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.54 -27.28 5.23 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.576 2.184 . . . . 0.0 112.59 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.77 ' HA ' HD12 ' A' ' 8' ' ' ILE . 11.0 t -53.5 -35.71 26.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.563 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -32.37 72.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.728 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.24 83.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.723 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.77 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.7 mt -67.28 -45.78 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -56.89 -34.77 68.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.628 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -66.9 -33.3 75.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.731 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.15 95.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.794 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.84 -29.56 73.77 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.086 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -70.24 -38.86 75.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.592 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.9 t -58.78 -28.43 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.94 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.7 mt -60.16 -41.62 87.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.738 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.13 -53.86 7.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.206 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -35.06 73.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.426 . . . . 0.0 110.529 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.23 61.51 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.943 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mt -70.61 -37.68 73.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -28.62 63.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.93 -40.68 60.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.997 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.7 mt -68.4 -30.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.758 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -67.68 -36.18 80.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.665 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.3 mt -93.57 -27.59 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HA ' HG22 ' A' ' 28' ' ' THR . . . -57.52 -35.07 69.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.46 -26.93 60.2 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.535 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.8 m -81.52 -56.66 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.825 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.9 t -57.23 -35.35 69.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.35 -31.4 72.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.37 -54.89 9.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 31' ' ' VAL . 7.5 t -54.15 -40.09 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.357 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 28' ' ' THR . 40.5 t -67.81 -33.5 61.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -68.27 -36.58 79.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.667 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.41 -32.37 72.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.398 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -30.41 24.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.677 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.4 169.14 16.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.682 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -81.43 -50.3 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.553 2.169 . . . . 0.0 112.544 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 171.45 133.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.72 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.24 141.44 31.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.48 -33.5 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.966 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -107.38 133.7 51.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.2 m170 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.835 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.1 111.69 24.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.435 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -86.6 -52.75 0.43 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.97 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HD3' ' CB ' ' A' ' 3' ' ' ILE . 16.9 Cg_exo -67.33 67.36 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.572 2.181 . . . . 0.0 112.17 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.774 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.8 t -54.76 -33.91 29.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.305 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -33.91 76.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.683 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.76 -50.48 72.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.817 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.8 mt -62.0 -45.26 99.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -36.63 75.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.649 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.0 tt0 -72.92 -34.22 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.637 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.54 -34.44 72.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.935 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.673 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -69.85 -29.28 71.08 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.201 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -71.71 -40.37 69.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.3 t -58.25 -30.41 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.673 HD12 ' HA2' ' A' ' 12' ' ' GLY . 29.3 mt -65.34 -39.49 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.55 -37.09 92.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.297 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -57.74 -38.61 75.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.513 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.1 -38.31 92.26 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.773 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.738 ' HA ' HD12 ' A' ' 22' ' ' ILE . 11.3 mt -63.29 -40.25 96.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.845 0.355 . . . . 0.0 110.423 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -61.88 -35.08 77.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.74 -39.42 66.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.68 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 19' ' ' LEU . 8.5 mt -67.09 -24.43 32.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.849 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -70.55 -43.46 69.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.807 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt -76.59 -27.93 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.25 -29.71 20.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.8 -38.27 93.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.414 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.7 t -67.04 -45.55 77.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 110.57 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.582 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -67.84 -34.63 77.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.257 179.713 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -65.98 -32.3 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.519 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -53.02 41.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.506 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 27' ' ' THR . 12.7 t -53.58 -50.58 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.352 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 28' ' ' THR . 24.8 t -63.29 -30.59 50.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.819 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.9 t -68.22 -33.52 74.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.754 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -63.62 -32.15 73.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.448 . . . . 0.0 110.792 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -95.65 -31.75 13.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.735 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.43 92.73 8.11 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.757 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.34 150.57 81.13 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.544 2.163 . . . . 0.0 112.234 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.38 121.32 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.62 129.7 34.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -101.34 105.69 16.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.76 -53.08 4.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.8 p80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.909 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -82.3 148.9 28.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -55.19 108.18 1.09 Allowed Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.389 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.9 -25.19 28.19 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.388 2.058 . . . . 0.0 112.297 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.687 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.7 t -53.85 -30.82 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.389 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -59.8 -36.31 76.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.922 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.0 -53.89 52.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.8 mt -60.59 -43.84 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -56.21 -35.37 67.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' HG23 ' A' ' 14' ' ' VAL . 6.5 mt-30 -72.74 -36.98 67.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.787 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.67 -32.96 70.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.696 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.48 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -68.61 -33.64 76.83 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.146 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -39.46 91.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.755 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 10' ' ' GLN . 7.7 t -58.81 -32.09 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.17 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.48 HD12 ' HA2' ' A' ' 12' ' ' GLY . 25.3 mt -72.2 -35.81 54.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.081 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.17 -27.0 70.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.38 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -44.41 87.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.395 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.61 91.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.986 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -31.39 70.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.637 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -36.81 75.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.77 -42.18 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.709 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.4 mt -67.71 -28.29 41.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.739 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -69.14 -37.84 78.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.825 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.7 mt -82.22 -31.3 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.88 -33.47 74.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.73 -32.91 85.75 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.357 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.5 m -73.2 -48.59 33.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.812 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -58.85 -36.61 74.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.794 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -29.41 69.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.891 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.3 -53.59 5.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 27' ' ' THR . 8.2 t -51.91 -38.24 22.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.424 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 28' ' ' THR . 40.3 t -72.34 -32.31 42.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -30.13 63.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.715 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -69.0 -35.37 76.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.815 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -89.29 -31.99 17.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.752 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.411 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -123.49 53.85 6.39 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.805 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 36' ' ' ARG . 59.1 Cg_endo -72.17 62.54 3.38 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -98.7 31.35 2.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.76 -30.39 23.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -90.72 157.01 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.029 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.7 pttm 42.62 91.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.495 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.912 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.04 121.71 35.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.802 0.334 . . . . 0.0 110.945 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.4 ' CG2' ' CB ' ' A' ' 7' ' ' ALA . 23.8 mm -59.57 126.88 83.88 Favored Pre-proline 0 N--CA 1.452 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.19 164.81 32.31 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.365 2.043 . . . . 0.0 112.424 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.78 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.1 t -57.51 -25.05 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.343 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -37.53 69.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.4 ' CB ' ' CG2' ' A' ' 3' ' ' ILE . . . -58.72 -53.24 60.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.731 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.9 mt -62.0 -44.75 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.945 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -64.16 -30.7 71.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.701 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.864 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.7 tt0 -67.0 -38.08 85.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.72 78.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.13 -25.99 71.94 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.413 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -37.24 33.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 10' ' ' GLN . 6.1 t -58.94 -33.63 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.227 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.2 mt -72.35 -41.59 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.63 -29.71 42.55 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -37.44 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.425 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -70.7 -38.39 67.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.088 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -74.04 -35.24 64.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.835 0.35 . . . . 0.0 110.662 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -31.56 66.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.581 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.34 -42.99 58.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 18' ' ' GLY . 14.9 mt -68.54 -25.62 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.0 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -77.29 -44.43 29.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mt -78.5 -27.67 14.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.021 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -30.12 64.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.036 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.94 -32.5 69.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.47 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -76.81 -47.34 21.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.775 0.322 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.784 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -59.12 -32.05 69.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.79 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -32.3 72.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.712 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.61 -54.57 15.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.565 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.9 t -53.89 -41.03 47.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.166 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 28' ' ' THR . 24.7 t -68.84 -31.82 52.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.675 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -32.21 73.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -60.51 -41.26 93.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.547 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -76.07 -30.96 58.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.696 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.19 167.34 26.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.729 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.65 -169.16 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.419 2.079 . . . . 0.0 112.282 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -139.8 109.89 6.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.015 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 tptt 59.74 43.92 14.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.91 112.92 24.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -66.76 136.97 56.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.9 p80 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.914 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 118.03 6.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.445 HG22 HD11 ' A' ' 8' ' ' ILE . 2.8 mt -57.85 109.74 2.01 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -50.92 105.32 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.491 2.127 . . . . 0.0 112.352 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.635 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.8 t -57.13 -30.04 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.312 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -38.84 88.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.3 -52.02 67.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.8 mt -65.23 -43.66 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.078 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 tttm -48.79 -55.15 12.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.43 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -60.3 -39.14 85.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.53 -35.81 75.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.611 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.756 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -66.14 -30.91 77.75 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.172 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -43.06 90.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.83 0.348 . . . . 0.0 110.653 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 t -61.06 -34.49 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.062 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.756 HD12 ' HA2' ' A' ' 12' ' ' GLY . 41.8 mt -63.42 -40.04 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.665 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.35 94.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.105 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -61.9 -42.41 99.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.047 0.451 . . . . 0.0 110.352 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.39 -33.97 73.62 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.699 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.62 ' HA ' HD12 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -66.5 -37.4 84.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.786 0.327 . . . . 0.0 110.528 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -59.6 -37.1 77.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.76 -40.09 61.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.437 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 19' ' ' LEU . 9.4 mt -68.0 -26.86 35.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.601 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -36.99 83.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.586 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.7 mt -77.64 -47.54 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 28' ' ' THR . . . -70.98 -30.99 67.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.93 -33.47 85.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.441 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 m -59.74 -54.39 46.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.701 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.0 t -59.46 -36.29 75.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.536 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -31.82 72.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.702 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.21 -53.06 33.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.51 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 t -52.08 -40.03 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.204 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 28' ' ' THR . 25.1 t -71.35 -30.05 38.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.815 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.47 -32.23 68.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.691 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.47 -31.64 72.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.64 -26.62 20.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.824 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 175.73 0.27 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.92 -16.68 39.89 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.754 2.302 . . . . 0.0 112.688 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.6 mttp 65.44 42.87 3.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -177.63 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -96.58 117.38 30.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -64.26 152.45 40.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.973 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.811 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.412 -0.275 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 7' ' ' ALA . 1.0 OUTLIER 60.93 110.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.883 0.373 . . . . 0.0 110.939 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.549 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 2.8 mt -59.14 -51.91 78.38 Favored Pre-proline 0 N--CA 1.449 -0.498 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.718 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 3' ' ' ILE . 35.9 Cg_endo -65.17 125.81 15.27 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.163 1.908 . . . . 0.0 112.286 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.567 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.8 t -58.18 -27.35 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.393 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -62.52 -37.86 87.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.665 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 2' ' ' LYS . . . -59.02 -53.25 60.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.638 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 5' ' ' VAL . 2.0 mt -64.71 -44.15 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.035 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.17 -33.79 63.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.702 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.6 tm0? -66.96 -34.08 76.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.739 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.43 86.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.09 -34.16 87.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.152 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -66.88 -38.83 87.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 0.0 110.609 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.8 t -58.43 -28.04 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.64 -41.88 86.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.777 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.94 -52.3 29.35 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.133 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -37.13 77.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.856 0.36 . . . . 0.0 110.376 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.38 -35.55 76.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.791 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 22' ' ' ILE . 7.0 tt -68.57 -40.98 80.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.38 . . . . 0.0 110.507 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -29.09 66.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.739 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.69 -41.83 62.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.91 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 19' ' ' LEU . 7.8 mt -65.61 -31.44 53.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.714 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -38.15 90.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.605 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.1 mt -85.62 -31.59 6.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.65 -30.53 59.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.006 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.68 -33.94 68.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -46.22 55.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.63 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -62.18 -35.73 79.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.77 179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -30.97 71.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -53.62 18.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.759 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 31' ' ' VAL . 7.9 t -50.81 -39.92 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.346 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 28' ' ' THR . 39.6 t -67.64 -32.21 55.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.006 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -31.66 58.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.792 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.1 -34.34 59.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -82.97 -51.97 7.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.29 114.2 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.25 124.72 12.03 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.391 2.061 . . . . 0.0 112.207 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -67.91 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.43 139.35 31.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -81.14 91.41 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.68 134.22 24.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.111 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -129.72 132.24 46.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.817 HG22 HG23 ' A' ' 5' ' ' VAL . 4.1 mp -105.48 76.25 0.33 Allowed Pre-proline 0 N--CA 1.448 -0.542 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.88 62.2 1.83 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.497 2.132 . . . . 0.0 112.528 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 3' ' ' ILE . 12.3 t -61.7 -38.48 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.183 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -60.39 -36.24 77.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.673 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.58 77.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 5' ' ' VAL . 2.1 mt -68.98 -46.02 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.113 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -35.93 75.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -66.28 -38.22 87.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.97 81.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.31 -29.92 76.44 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.261 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -45.18 76.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.739 0.304 . . . . 0.0 110.718 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 t -60.56 -37.65 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.052 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.7 mt -73.23 -32.21 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.88 -33.92 28.72 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -35.16 72.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.686 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.77 -37.56 76.01 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.133 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -35.77 78.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.543 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -28.83 62.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.605 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.33 -40.91 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.2 mt -67.52 -29.8 46.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -74.52 -46.12 41.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.669 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.0 mt -74.73 -28.67 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.12 -31.47 61.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.55 -32.75 75.36 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.303 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -77.38 -41.72 39.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.824 0.345 . . . . 0.0 110.787 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.782 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -59.65 -33.76 71.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.697 179.772 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -30.25 68.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.766 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.69 -53.81 5.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 27' ' ' THR . 7.0 t -52.94 -44.09 48.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.48 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 28' ' ' THR . 41.3 t -65.73 -29.81 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -31.54 70.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -69.51 -34.76 74.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -87.42 -42.38 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.79 69.2 1.14 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.95 -167.93 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.523 2.149 . . . . 0.0 112.287 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.15 -55.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -137.46 97.97 3.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -160.64 -44.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -133.93 -45.37 0.79 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.11 135.18 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.547 HG22 ' HB3' ' A' ' 7' ' ' ALA . 11.9 mm -58.76 135.19 86.64 Favored Pre-proline 0 N--CA 1.453 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.599 ' HG2' ' HB2' ' A' ' 7' ' ' ALA . 63.8 Cg_endo -73.46 155.0 50.72 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.509 2.139 . . . . 0.0 112.276 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.82 ' HA ' HD12 ' A' ' 8' ' ' ILE . 5.0 t -60.06 -35.09 59.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -65.33 -34.08 77.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.633 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.599 ' HB2' ' HG2' ' A' ' 4' ' ' PRO . . . -62.09 -46.77 87.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.851 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 5' ' ' VAL . 2.1 mt -64.61 -46.93 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.012 0.434 . . . . 0.0 111.027 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -61.59 -39.89 92.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.872 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.6 mt-30 -68.61 -35.21 77.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.659 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.62 78.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.631 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -70.76 -27.41 72.42 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.419 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -39.88 30.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.308 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 10' ' ' GLN . 6.3 t -58.04 -35.17 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.631 HD12 ' HA2' ' A' ' 12' ' ' GLY . 13.5 mt -64.96 -33.85 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.755 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.98 -49.08 7.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.351 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -36.01 75.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.548 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.83 -35.11 62.01 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.909 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -35.27 72.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.597 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -70.45 -32.93 70.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.79 -42.7 63.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mt -67.34 -27.9 40.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.851 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -71.46 -42.38 68.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.787 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 mt -75.39 -40.62 42.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.015 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.06 -30.89 44.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.41 -33.84 87.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.396 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 m -66.07 -57.7 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.794 0.331 . . . . 0.0 110.79 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.821 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.6 t -59.72 -33.79 72.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.726 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -31.29 72.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.63 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.56 -55.13 8.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.676 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 t -54.07 -43.41 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.244 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 28' ' ' THR . 38.7 t -67.84 -33.23 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.707 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t -67.61 -31.69 71.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.634 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -62.48 -34.08 76.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -92.73 -30.97 15.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.59 168.31 13.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.71 -171.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.67 2.246 . . . . 0.0 112.373 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -90.83 -41.74 11.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.47 156.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.24 89.12 7.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -131.76 123.85 28.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.3 m80 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.934 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -95.68 15.24 20.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.634 0.254 . . . . 0.0 111.257 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 5' ' ' VAL . 38.0 mt -69.98 111.26 8.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.119 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HB2' ' HB3' ' A' ' 7' ' ' ALA . 21.5 Cg_exo -65.3 69.65 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.596 2.197 . . . . 0.0 112.192 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.821 ' HA ' HD12 ' A' ' 8' ' ' ILE . 5.3 t -59.39 -37.18 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -67.62 -31.78 72.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.705 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 4' ' ' PRO . . . -65.68 -40.39 92.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.979 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.821 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.9 mt -71.91 -47.51 55.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -53.93 52.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.82 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.642 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.9 pp0? -62.45 -31.15 71.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.709 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.33 77.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.27 -29.7 71.86 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.159 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -71.4 -40.85 70.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.691 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.2 t -58.7 -34.42 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.976 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.4 mt -70.73 -31.22 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.14 -43.16 8.89 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.371 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.47 -41.4 94.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.387 . . . . 0.0 110.521 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.51 -33.37 72.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.013 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.2 tt -69.8 -34.47 73.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 110.537 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -36.64 80.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.663 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -45.51 67.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.1 mt -65.36 -28.69 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.795 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -69.8 -43.0 72.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.712 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt -74.79 -31.56 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.01 -35.51 72.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.55 -33.02 80.05 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.405 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.7 m -67.31 -39.23 85.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.911 0.386 . . . . 0.0 110.753 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.631 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -63.33 -34.72 78.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.644 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.445 ' CE1' ' HD2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -61.49 -30.44 70.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.4 -53.8 12.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.73 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 t -51.44 -39.31 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.266 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 28' ' ' THR . 39.1 t -69.07 -34.82 65.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 t -66.72 -32.58 73.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -60.76 -34.13 73.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.541 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -92.64 -28.09 16.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.857 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ttp85 -152.49 87.77 4.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.067 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.28 115.18 2.12 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.578 2.186 . . . . 0.0 112.357 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 10.9 ptmm? -75.32 -21.97 58.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.02 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt 68.81 110.56 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -89.24 -71.83 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -97.89 -36.05 10.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.925 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.638 -0.185 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 147.13 37.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.692 0.282 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.61 107.9 0.98 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.449 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.48 102.21 1.59 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.508 2.139 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.501 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.4 t -57.72 -29.94 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.293 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -36.46 79.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.689 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.35 59.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.794 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 5' ' ' VAL . 2.2 mt -65.77 -44.38 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -62.09 -35.11 77.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.848 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.4 mm-40 -69.22 -36.24 77.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 -34.35 76.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.777 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -71.6 -27.85 70.38 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.323 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -39.85 49.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.74 0.305 . . . . 0.0 110.704 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.9 t -58.29 -32.52 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.777 HD12 ' HA2' ' A' ' 12' ' ' GLY . 12.7 mt -65.64 -40.33 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.941 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -28.67 69.37 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -59.84 -38.48 82.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.802 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.58 -36.63 76.72 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.135 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 22' ' ' ILE . 4.0 mt -68.49 -31.12 70.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.717 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -72.75 -35.83 67.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.716 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.13 -41.96 69.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.989 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 19' ' ' LEU . 7.2 mt -66.53 -29.7 47.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.755 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -67.27 -39.0 86.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -67.96 -31.58 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.029 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -31.24 72.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.66 -32.77 70.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 31' ' ' VAL . 70.6 m -66.89 -46.82 73.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.715 0.293 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -34.71 71.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.721 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -24.68 67.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.043 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.79 -54.2 3.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.053 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 27' ' ' THR . 10.6 t -50.82 -63.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.552 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.88 -25.69 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.42 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -31.74 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -91.51 -26.96 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -43.6 92.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.05 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -59.96 -61.5 7.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.002 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 36' ' ' ARG . 57.8 Cg_endo -71.39 -165.61 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.475 2.117 . . . . 0.0 112.381 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mptt 68.62 28.06 5.86 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 42.79 43.27 3.34 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.741 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 161.67 26.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 62.91 -178.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.161 -0.924 . . . . 0.0 110.915 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.23 124.8 46.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 mt -111.54 96.08 30.33 Favored Pre-proline 0 N--CA 1.45 -0.466 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.75 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.13 77.26 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.601 2.2 . . . . 0.0 112.589 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.722 ' HA ' HD12 ' A' ' 8' ' ' ILE . 3.1 t -64.13 -39.13 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -61.59 -33.41 73.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.715 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.24 -48.77 78.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.768 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.722 HD12 ' HA ' ' A' ' 5' ' ' VAL . 2.1 mt -65.2 -45.85 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.871 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -60.56 -46.6 89.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.628 ' O ' HG23 ' A' ' 14' ' ' VAL . 26.7 mt-30 -67.29 -32.94 74.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.622 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.18 77.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.15 -38.46 95.27 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.149 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -40.82 98.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.936 0.398 . . . . 0.0 110.846 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.4 t -58.51 -28.45 36.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.979 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.5 -44.18 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.991 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.91 -49.32 17.54 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.286 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -35.05 69.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.867 0.365 . . . . 0.0 110.566 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.4 -37.06 79.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.831 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.668 ' HA ' HD12 ' A' ' 22' ' ' ILE . 5.8 tt -67.19 -41.77 85.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.316 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.26 -27.01 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.579 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.98 -40.79 64.98 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 19' ' ' LEU . 6.7 mt -63.06 -30.89 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.879 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -73.81 -45.3 52.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.1 mt -76.47 -27.9 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.083 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.23 -40.08 70.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.281 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.25 -34.0 69.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.377 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 31' ' ' VAL . 18.4 p -75.0 -50.67 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 110.842 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 t -58.06 -24.9 60.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.9 -22.34 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.133 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.97 -58.41 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 0.0 111.197 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 27' ' ' THR . 11.5 t -50.08 -47.61 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.746 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.68 -30.47 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -30.33 65.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -79.2 -38.38 35.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -85.33 -44.49 12.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 61.37 86.09 0.16 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.49 -22.52 24.62 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.522 2.148 . . . . 0.0 112.417 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.03 30.33 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.29 64.58 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.938 0.399 . . . . 0.0 110.8 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -88.28 150.65 23.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.96 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.45 141.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.5 m80 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.92 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 112.576 -0.21 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.45 129.51 37.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.81 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.424 ' H ' HD12 ' A' ' 3' ' ' ILE . 2.4 mp -53.15 107.59 0.89 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.321 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.34 -1.19 11.34 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.468 2.112 . . . . 0.0 112.857 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.815 ' HA ' HD12 ' A' ' 8' ' ' ILE . 40.6 t -57.47 -30.74 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-O 120.918 0.39 . . . . 0.0 111.29 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -30.36 66.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.919 0.39 . . . . 0.0 110.589 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.14 -45.0 82.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.663 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 5' ' ' VAL . 2.1 mt -65.55 -46.73 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.979 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -58.19 -41.46 83.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.669 ' O ' HG23 ' A' ' 14' ' ' VAL . 38.4 tt0 -72.03 -36.06 69.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.612 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.93 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.687 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.88 74.4 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.956 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -73.4 -41.69 63.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 110.654 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 10' ' ' GLN . 4.4 t -61.13 -37.76 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.024 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -70.83 -36.98 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.797 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.54 -28.46 71.05 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.218 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -37.88 74.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.929 0.395 . . . . 0.0 110.653 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.69 -40.93 76.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.029 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.2 mt -69.71 -33.67 72.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.398 . . . . 0.0 110.499 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -31.96 63.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.434 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.53 -42.11 65.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 19' ' ' LEU . 7.6 mt -66.2 -30.01 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.867 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -73.3 -46.99 46.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.1 mt -69.4 -27.97 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.01 -40.57 76.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.952 0.406 . . . . 0.0 111.038 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.87 -32.25 81.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.325 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.7 m -77.62 -46.49 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.632 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.685 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -60.24 -37.17 79.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.719 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -60.58 -30.48 69.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.678 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -54.87 7.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 t -52.43 -37.42 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.294 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 28' ' ' THR . 37.1 t -74.39 -29.94 25.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -29.1 60.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.616 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.87 -34.05 73.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.767 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -49.99 4.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 60.85 67.92 1.39 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.01 -178.27 2.73 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.517 2.145 . . . . 0.0 112.294 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.74 85.28 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.012 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -146.34 124.47 12.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 84.8 mttt 60.24 79.2 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -67.75 -48.46 66.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.0 m80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.947 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt 63.38 15.64 8.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.693 0.282 . . . . 0.0 111.455 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -56.27 108.67 1.28 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.196 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.87 -37.64 92.75 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.481 2.121 . . . . 0.0 112.135 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.654 ' HA ' HD12 ' A' ' 8' ' ' ILE . 5.1 t -59.7 -30.8 45.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.242 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -37.85 80.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.77 -53.55 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.564 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.5 mt -63.31 -44.95 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.977 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.09 -36.68 70.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.547 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -72.89 -38.69 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.51 72.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.429 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -68.07 -34.52 81.6 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.058 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -40.49 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.835 0.35 . . . . 0.0 110.482 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 10' ' ' GLN . 4.9 t -59.48 -35.18 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.017 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.429 HD12 ' HA2' ' A' ' 12' ' ' GLY . 41.0 mt -68.99 -41.49 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.645 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.67 -29.08 73.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.165 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -58.77 -37.48 76.38 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.957 0.408 . . . . 0.0 110.754 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.9 -39.53 85.27 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.815 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -64.37 -33.34 75.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.418 179.551 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.649 ' HD3' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -71.46 -35.62 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.441 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.36 -41.95 79.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 19' ' ' LEU . 12.5 mt -66.11 -31.88 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.661 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.16 -46.91 60.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.553 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.649 HD11 ' HD3' ' A' ' 20' ' ' ARG . 17.4 mt -71.13 -25.92 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.989 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.47 -36.41 64.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.63 -31.95 68.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.181 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -68.18 -54.89 14.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.792 0.33 . . . . 0.0 110.56 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.813 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.8 t -61.65 -38.64 88.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -32.75 74.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -53.77 30.26 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.574 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 27' ' ' THR . 10.0 t -53.17 -42.39 46.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.999 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 28' ' ' THR . 41.5 t -61.75 -44.12 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.881 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -57.92 -30.25 65.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.76 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -73.65 -30.1 62.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.612 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -107.61 23.98 13.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.54 169.37 7.91 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.78 171.24 18.25 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.52 2.146 . . . . 0.0 112.395 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 pttm -87.43 -31.2 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -102.38 154.34 19.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.68 125.64 25.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 129.97 39.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.9 p80 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.987 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.109 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.59 125.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 110.75 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.417 ' H ' HD12 ' A' ' 3' ' ' ILE . 2.3 mp -47.27 104.24 0.4 Allowed Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.511 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -83.52 -29.61 1.05 Allowed 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.69 2.26 . . . . 0.0 112.464 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.487 ' HA ' HD12 ' A' ' 8' ' ' ILE . 5.9 t -58.31 -30.5 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.399 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -59.86 -40.25 87.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.31 -53.59 56.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 5' ' ' VAL . 2.0 mt -66.78 -43.3 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.042 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -48.42 -32.34 7.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.197 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.584 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -68.85 -46.81 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.966 0.412 . . . . 0.0 110.814 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.0 75.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.707 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.21 -27.44 71.79 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.193 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -72.53 -40.26 66.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.899 0.38 . . . . 0.0 110.734 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 10' ' ' GLN . 4.4 t -61.54 -42.43 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.0 mt -72.19 -31.45 39.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.815 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.38 -29.92 51.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.285 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -59.93 -37.59 79.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.941 0.4 . . . . 0.0 110.647 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.03 85.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.073 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.537 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.5 mt -68.51 -38.18 80.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 110.487 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -32.54 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.444 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -42.36 75.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.826 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 19' ' ' LEU . 6.5 mt -66.11 -28.08 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.33 -34.26 76.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.769 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.13 -44.68 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.14 83.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.99 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.2 -33.15 77.56 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.264 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.601 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.0 m -71.57 -48.54 47.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.686 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.732 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -59.8 -35.37 74.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.754 179.726 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -31.2 69.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.706 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -53.98 10.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.894 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 27' ' ' THR . 9.4 t -51.7 -41.07 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.236 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 28' ' ' THR . 32.3 t -72.64 -34.61 48.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.654 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -71.81 -29.48 64.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.495 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -32.56 73.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.771 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.69 -45.57 8.38 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 tpt85 59.95 93.37 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.01 107.26 1.48 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.48 2.12 . . . . 0.0 112.226 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -50.67 70.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.9 tttp 60.79 30.84 19.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.44 -76.87 0.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.34 159.18 18.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.988 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.915 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.12 106.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.71 0.29 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.465 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.7 OUTLIER -63.06 -48.2 84.72 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.149 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 3' ' ' ILE . 25.7 Cg_exo -63.03 -56.33 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.573 2.182 . . . . 0.0 112.122 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.736 ' HA ' HD12 ' A' ' 8' ' ' ILE . 17.7 t -56.53 -27.82 25.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.497 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -58.35 -38.11 76.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.83 -51.86 68.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.8 mt -65.05 -44.97 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.948 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -34.38 75.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.863 ' O ' HG23 ' A' ' 14' ' ' VAL . 2.7 mt-30 -66.86 -38.46 86.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.64 -38.17 89.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.013 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.583 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -70.77 -26.87 73.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.348 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -38.88 46.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.3 t -58.34 -31.74 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.29 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.583 HD12 ' HA2' ' A' ' 12' ' ' GLY . 29.6 mt -62.51 -45.37 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.73 -42.56 8.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.237 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 3.2 mttt -58.97 -32.64 69.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.813 0.339 . . . . 0.0 110.409 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.35 -33.62 85.49 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.99 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.81 -51.92 17.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 110.403 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -14.94 63.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.803 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . -83.37 -39.08 21.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.031 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.06 -30.25 43.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.811 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -72.05 -40.93 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.5 mt -82.62 -27.5 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.38 -28.65 59.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.5 -31.59 62.95 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.69 -51.68 13.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.752 0.31 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.782 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.2 t -56.33 -33.31 65.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.686 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.27 -30.61 69.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -55.6 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 t -54.84 -48.34 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.535 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 28' ' ' THR . 42.7 t -59.79 -31.18 46.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.039 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t -66.07 -42.9 88.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -75.43 -35.27 61.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.517 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -107.14 46.54 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.47 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -52.36 131.72 43.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.53 136.61 40.08 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.553 2.169 . . . . 0.0 112.183 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -55.58 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 148.29 40.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -146.52 157.23 43.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -109.35 61.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.573 -0.211 . . . . 0.0 112.573 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.656 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -78.23 136.1 37.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.373 . . . . 0.0 110.859 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.447 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -73.41 -49.33 6.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.23 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 3' ' ' ILE . 94.1 Cg_endo -84.53 49.32 2.66 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.636 2.224 . . . . 0.0 112.684 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.785 ' HA ' HD12 ' A' ' 8' ' ' ILE . 60.9 t -83.09 -32.94 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -61.55 -36.22 79.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.57 -43.07 93.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 5' ' ' VAL . 3.1 mt -69.37 -51.74 39.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -53.34 56.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.091 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.634 ' O ' HG23 ' A' ' 14' ' ' VAL . 2.3 tt0 -63.25 -32.78 74.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.39 -38.09 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.993 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.429 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -68.55 -24.62 75.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.281 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -41.44 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 10' ' ' GLN . 6.2 t -59.81 -33.47 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.277 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.429 HD12 ' HA2' ' A' ' 12' ' ' GLY . 48.6 mt -65.68 -40.76 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.56 -39.38 90.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.384 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -53.32 59.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.574 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.43 -31.08 78.27 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.754 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -66.15 -37.73 86.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 110.519 179.58 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -40.37 81.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.741 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.94 -42.02 67.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.593 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.9 mt -68.57 -25.65 31.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.803 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.65 ' O ' HG22 ' A' ' 27' ' ' THR . 3.9 t-20 -70.36 -37.02 74.51 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.808 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 mt -68.43 -29.23 43.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.2 -27.14 18.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.193 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.29 -30.46 30.69 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.476 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 23' ' ' ASN . 7.3 t -70.35 -38.85 74.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.89 0.376 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.805 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.0 t -66.63 -30.54 70.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.18 -29.52 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -54.92 6.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 t -51.52 -43.9 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.445 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 28' ' ' THR . 30.0 t -64.6 -29.62 47.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.186 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.73 -26.95 44.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.37 -36.23 15.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.051 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.19 -29.51 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 10.0 mmm-85 -58.29 -61.4 7.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 36' ' ' ARG . 52.7 Cg_endo -69.57 151.74 70.17 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.329 2.019 . . . . 0.0 112.343 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -169.29 34.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -140.27 145.07 36.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.13 149.32 26.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.59 179.17 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.966 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.853 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.78 102.04 11.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.674 0.273 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mt -64.66 110.29 3.87 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.76 142.98 59.77 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.375 2.05 . . . . 0.0 112.294 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.71 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.6 t -56.91 -32.13 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.331 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -60.84 -35.89 77.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.772 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.75 -52.25 66.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 5' ' ' VAL . 1.9 mt -62.49 -44.78 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.978 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -58.32 -33.65 69.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -62.07 -35.3 78.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.672 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.14 76.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.28 -28.94 72.15 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.293 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -40.31 68.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.769 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 10' ' ' GLN . 5.4 t -57.89 -30.85 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.167 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.5 mt -65.03 -34.07 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.95 -31.63 57.72 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.394 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -58.43 -40.02 81.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.418 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.4 -37.09 79.13 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.141 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.78 -30.91 68.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.644 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -70.6 -38.21 73.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.7 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.37 -43.06 70.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.819 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mt -66.53 -28.5 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.786 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -39.21 83.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.3 mt -69.32 -32.41 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.966 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.23 -31.05 72.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.991 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.91 -34.2 89.25 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.208 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -65.12 -55.13 20.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.77 0.319 . . . . 0.0 110.716 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.751 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.6 t -59.68 -32.91 70.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -30.36 71.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.912 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.1 -55.13 5.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 27' ' ' THR . 6.7 t -52.58 -47.13 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.302 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 28' ' ' THR . 39.5 t -65.4 -31.72 55.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.82 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.6 t -68.99 -29.75 68.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.43 8.29 45.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.35 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.31 -40.39 2.81 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.77 0.319 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 1.7 ttp85 -59.43 -61.09 8.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 50.2 Cg_endo -69.21 146.99 65.38 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.507 2.138 . . . . 0.0 112.358 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.21 30.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -57.7 129.75 43.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.73 38.49 1.8 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -74.68 69.33 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.801 179.886 . . . . . . . . 1 1 . 1 stop_ save_