data_1vgh_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 1vgh _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 ' 7' ' ' CYS . . . . . . . . . . . . . 87.0 m . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 120.722 0.296 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.76 118.39 6.14 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -43.21 135.19 5.99 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 125.038 3.826 . . . . 0.0 113.402 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.8 m -63.06 -61.81 2.13 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 124.465 1.106 . . . . 0.0 111.215 -169.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -84.92 68.88 10.68 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.74 0.816 . . . . 0.0 110.046 -177.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 61.21 -102.86 0.13 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.281 1.433 . . . . 0.0 110.861 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -150.22 -47.01 0.13 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.27 1.428 . . . . 0.0 109.525 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -48.05 -28.97 3.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.93 2.092 . . . . 0.0 114.201 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -71.62 70.72 0.68 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.006 1.322 . . . . 0.0 110.127 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -71.65 -19.22 62.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.297 1.039 . . . . 0.0 111.566 175.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.94 -15.79 62.62 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.559 1.144 . . . . 0.0 111.335 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -89.87 144.81 25.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.127 0.971 . . . . 0.0 109.307 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 m -118.06 157.33 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 125.648 1.579 . . . . 0.0 107.614 169.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -134.32 139.33 45.6 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.703 0.801 . . . . 0.0 110.794 -170.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.1 129.28 93.11 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 123.78 0.832 . . . . 0.0 109.167 176.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -68.93 -27.09 30.94 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.233 2.622 . . . . 0.0 113.919 -169.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -97.98 -47.95 5.33 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.423 0.689 . . . . 0.0 112.138 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.2 p -99.57 -8.65 24.25 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.592 0.757 . . . . 0.0 112.801 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 m 67.19 18.92 10.4 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.707 1.203 . . . . 0.0 113.453 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -81.63 130.27 34.99 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 77.6 m -102.64 144.33 31.17 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.601 0.76 . . . . 0.0 111.834 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -140.59 145.7 37.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.011 1.324 . . . . 0.0 108.767 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.2 m -79.58 140.87 37.02 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.292 0.637 . . . . 0.0 111.984 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -66.72 -46.97 73.81 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.552 0.741 . . . . 0.0 109.191 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -74.41 150.72 39.86 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.294 1.038 . . . . 0.0 109.716 176.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 p -140.0 160.86 38.98 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.934 0.894 . . . . 0.0 111.268 -172.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.11 -31.94 72.45 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.436 0.694 . . . . 0.0 111.127 170.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 p -64.37 -47.99 77.19 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.145 0.578 . . . . 0.0 110.95 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -56.46 -51.98 66.41 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 122.851 0.46 . . . . 0.0 110.314 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.9 m -60.73 -43.28 98.08 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.39 0.276 . . . . 0.0 111.427 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.15 -39.0 88.45 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.949 0.9 . . . . 0.0 111.289 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.03 -24.48 66.21 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.945 0.498 . . . . 0.0 112.088 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -99.27 8.32 44.86 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.033 1.333 . . . . 0.0 110.934 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.67 47.28 8.35 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.98 1.712 . . . . 0.0 110.803 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -140.2 179.69 6.49 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.585 2.354 . . . . 0.0 107.533 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -135.14 163.85 29.0 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.61 0.764 . . . . 0.0 109.055 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 tp -84.96 132.19 34.39 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.313 0.645 . . . . 0.0 110.692 -173.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -89.25 103.07 15.73 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 168.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.31 -6.29 9.48 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -79.26 -55.96 4.7 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.778 0.831 . . . . 0.0 109.283 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.2 p -93.09 -21.5 19.67 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.974 1.309 . . . . 0.0 111.659 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.8 m 57.88 50.42 10.48 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 126.272 1.829 . . . . 0.0 110.904 -169.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.9 mtp-105 -114.39 159.38 20.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.87 1.668 . . . . 0.0 107.835 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.4 m -89.21 125.15 34.95 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -124.35 175.45 7.09 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.907 1.683 . . . . 0.0 109.674 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -53.89 142.93 43.23 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 123.492 0.717 . . . . 0.0 110.684 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 N--CA 1.452 -0.961 0 C-N-CA 122.742 2.295 . . . . 0.0 110.044 -172.414 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.6 m . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.34 -166.42 10.77 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -54.69 130.65 41.48 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 124.31 3.34 . . . . 0.0 112.383 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.2 m -67.66 -27.93 67.27 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.795 0.438 . . . . 0.0 110.332 172.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.5 p -71.28 -10.43 59.75 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.274 1.03 . . . . 0.0 112.182 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 78.34 -33.0 0.16 Allowed 'General case' 0 C--N 1.344 0.337 0 C-N-CA 127.192 2.197 . . . . 0.0 113.892 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -89.23 -81.9 0.26 Allowed 'General case' 0 C--N 1.34 0.155 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.9 tpt85 -165.43 99.86 0.71 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 158.7 24.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.507 0.723 . . . . 0.0 111.349 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -146.01 -51.54 0.24 Allowed 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.456 1.103 . . . . 0.0 108.935 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.41 -27.42 67.83 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.506 1.122 . . . . 0.0 111.047 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -89.81 136.06 33.26 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.058 0.943 . . . . 0.0 109.636 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 m -105.34 133.55 49.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 168.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -117.95 139.89 50.51 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 124.148 0.979 . . . . 0.0 110.364 -171.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.87 126.14 62.36 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 124.257 1.023 . . . . 0.0 108.795 176.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.65 -14.95 21.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.082 2.521 . . . . 0.0 113.838 -174.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -89.42 -48.27 7.45 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.978 0.808 . . . . 0.0 110.289 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.7 p -99.43 -13.14 19.67 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.118 0.967 . . . . 0.0 112.17 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.7 m 61.71 31.65 18.51 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.829 1.252 . . . . 0.0 111.795 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -88.8 121.4 31.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.8 m -99.03 138.29 36.34 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.8 m -140.14 137.96 34.85 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.118 0.967 . . . . 0.0 108.444 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 75.5 m -75.53 121.8 22.92 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.145 0.578 . . . . 0.0 110.718 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.04 -39.81 94.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.557 0.743 . . . . 0.0 109.9 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -73.05 120.88 19.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.547 0.739 . . . . 0.0 109.032 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.1 p -114.79 162.2 17.17 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.196 0.998 . . . . 0.0 110.565 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.15 -32.32 62.01 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.809 1.244 . . . . 0.0 111.873 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 m -58.14 -49.0 78.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.162 0.985 . . . . 0.0 111.337 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -61.27 -49.05 78.63 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.406 0.682 . . . . 0.0 109.833 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.8 m -59.37 -46.31 89.0 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.038 0.535 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.45 -39.68 94.15 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.783 0.833 . . . . 0.0 111.106 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.4 -23.59 65.91 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.104 0.561 . . . . 0.0 112.221 173.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -99.08 6.7 46.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.881 1.272 . . . . 0.0 111.142 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.24 48.91 7.66 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 125.558 1.543 . . . . 0.0 110.629 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 mt -140.09 -178.04 5.27 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.758 2.423 . . . . 0.0 107.111 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.3 mm-40 -137.95 155.12 49.21 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.789 0.835 . . . . 0.0 109.803 173.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.3 tp -74.3 125.88 29.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.282 0.633 . . . . 0.0 110.364 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -89.1 98.0 11.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.86 -7.84 9.22 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -169.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -78.88 -55.94 4.77 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.0 p -89.92 -20.79 22.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.572 1.149 . . . . 0.0 111.624 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.7 m 57.58 51.04 10.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.716 2.007 . . . . 0.0 110.916 -169.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -119.62 156.61 30.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.736 1.615 . . . . 0.0 107.941 173.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.6 m -89.31 125.32 35.06 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -139.33 147.81 42.07 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.238 1.415 . . . . 0.0 108.415 -177.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -66.49 143.77 98.35 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-O 119.315 -0.374 . . . . 0.0 111.321 -174.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 C-N-CA 122.71 2.274 . . . . 0.0 110.517 177.564 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 m . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 120.979 0.419 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.67 171.23 55.0 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 174.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -69.63 146.26 60.47 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.915 3.077 . . . . 0.0 111.904 -173.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.5 m -86.23 -48.61 8.39 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.687 0.795 . . . . 0.0 109.694 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 p -85.32 -79.03 0.24 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.591 1.156 . . . . 0.0 111.191 -173.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.04 -150.22 0.3 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.432 1.093 . . . . 0.0 110.01 -175.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -88.25 -36.4 16.75 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.871 0.76 . . . . 0.0 112.188 -169.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -94.95 43.27 1.09 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.275 1.03 . . . . 0.0 110.153 -177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 21.76 0.2 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -169.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -63.66 -22.13 66.74 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.083 0.856 . . . . 0.0 113.15 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.93 -30.96 71.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.903 0.881 . . . . 0.0 110.844 171.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -89.71 139.82 30.19 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.853 1.261 . . . . 0.0 109.135 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -110.65 131.88 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -119.0 138.92 52.48 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 124.083 0.953 . . . . 0.0 110.853 -169.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -82.68 125.32 76.06 Favored Pre-proline 0 N--CA 1.453 -0.312 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.64 -22.72 23.86 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.67 2.247 . . . . 0.0 113.121 -170.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -89.25 -41.58 12.11 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.867 0.758 . . . . 0.0 111.272 -174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -99.18 -17.87 17.93 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.966 0.906 . . . . 0.0 111.852 -176.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.3 m 68.97 13.1 8.78 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.363 1.465 . . . . 0.0 112.468 -176.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -71.15 124.18 23.86 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 70.8 m -99.39 142.34 31.0 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.894 0.877 . . . . 0.0 109.452 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -140.3 142.42 35.68 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.65 1.18 . . . . 0.0 108.256 173.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.6 m -82.69 130.19 35.08 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 122.522 0.329 . . . . 0.0 111.479 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -67.76 -40.7 84.05 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.357 0.663 . . . . 0.0 109.42 171.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -82.65 147.18 28.68 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.798 1.239 . . . . 0.0 109.741 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.9 p -138.13 163.68 31.06 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.716 0.807 . . . . 0.0 111.345 -171.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.69 -30.05 70.2 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.555 0.742 . . . . 0.0 111.255 174.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.3 p -65.18 -46.29 81.4 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.631 0.372 . . . . 0.0 110.659 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 -61.33 -49.4 77.12 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 122.944 0.498 . . . . 0.0 110.572 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.5 m -57.91 -46.75 84.49 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -63.54 -38.72 92.22 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.23 1.012 . . . . 0.0 112.045 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.72 -27.84 66.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.926 0.49 . . . . 0.0 111.518 172.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -99.45 14.61 29.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.027 1.331 . . . . 0.0 111.244 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 59.88 48.81 8.51 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.791 1.636 . . . . 0.0 111.276 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.4 mt -140.7 -178.08 5.36 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.35 2.26 . . . . 0.0 108.27 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -138.01 147.55 44.29 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.894 0.878 . . . . 0.0 110.295 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 tp -79.48 129.18 34.23 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.807 0.843 . . . . 0.0 110.365 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -89.42 99.87 12.78 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 168.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -52.75 -22.81 5.7 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.727 1.611 . . . . 0.0 113.971 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -78.61 -34.67 46.51 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.543 0.611 . . . . 0.0 110.901 -174.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.8 p -107.9 -17.78 13.97 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.121 1.369 . . . . 0.0 111.561 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.8 m 50.07 43.99 25.77 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.863 2.065 . . . . 0.0 112.425 -169.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -113.33 158.82 20.09 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.468 1.507 . . . . 0.0 107.724 170.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 70.8 m -89.33 144.2 26.26 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -140.15 -174.3 3.89 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.814 2.046 . . . . 0.0 108.783 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -49.94 146.99 7.22 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 124.119 0.968 . . . . 0.0 112.356 -174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo . . . . . 0 N--CA 1.458 -0.605 0 C-N-CA 124.119 3.213 . . . . 0.0 108.533 173.113 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 120.801 0.334 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.7 163.06 53.62 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.13 129.81 15.64 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.568 2.846 . . . . 0.0 111.081 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 86.2 m -67.06 -58.35 5.07 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.859 0.864 . . . . 0.0 109.904 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.4 p -78.42 149.72 33.23 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.717 0.807 . . . . 0.0 110.245 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.27 -20.91 66.63 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.17 0.588 . . . . 0.0 111.365 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -89.62 165.66 14.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.796 1.239 . . . . 0.0 110.481 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -75.32 85.94 2.5 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 174.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -57.73 160.24 4.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -171.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -176.83 -41.45 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 128.179 2.591 . . . . 0.0 107.363 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.1 mt -60.28 -35.17 74.93 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.46 1.104 . . . . 0.0 110.426 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -89.25 136.69 32.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.034 0.934 . . . . 0.0 109.15 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.6 m -107.7 129.23 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 169.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -109.11 141.82 40.74 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.509 1.124 . . . . 0.0 110.532 -173.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -99.16 116.4 65.17 Favored Pre-proline 0 N--CA 1.452 -0.335 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -72.85 -4.4 15.31 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.998 2.465 . . . . 0.0 112.911 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -88.59 -45.8 9.58 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 123.463 0.705 . . . . 0.0 109.877 -174.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.1 p -99.79 -32.02 11.23 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.31 1.044 . . . . 0.0 111.512 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.6 m 87.31 1.16 0.47 Allowed 'General case' 0 C--N 1.343 0.309 0 C-N-CA 127.835 2.454 . . . . 0.0 112.271 -169.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -66.42 143.11 57.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 118.523 0.601 . . . . 0.0 109.792 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.8 m -114.87 154.15 29.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.282 1.033 . . . . 0.0 110.03 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -140.28 145.21 37.0 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.183 0.993 . . . . 0.0 108.509 169.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -76.8 124.9 28.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.201 0.6 . . . . 0.0 110.352 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.51 -36.04 79.4 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.959 0.903 . . . . 0.0 110.23 173.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -77.07 116.93 18.15 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -107.8 162.21 14.2 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.183 0.993 . . . . 0.0 110.811 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.5 -35.96 68.61 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.995 0.918 . . . . 0.0 110.712 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 t -62.68 -49.1 76.46 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.837 0.855 . . . . 0.0 110.557 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -57.11 -44.41 83.22 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.195 0.598 . . . . 0.0 110.595 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.5 m -66.18 -46.18 78.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.977 0.511 . . . . 0.0 111.321 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -64.1 -33.78 76.56 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.992 0.917 . . . . 0.0 111.877 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.37 -25.58 67.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.52 0.728 . . . . 0.0 111.978 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -101.13 10.66 40.66 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.625 1.57 . . . . 0.0 111.653 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 59.62 48.91 8.93 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.96 1.704 . . . . 0.0 111.195 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.5 mt -135.52 179.24 6.46 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.234 1.814 . . . . 0.0 108.039 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -132.18 143.82 50.23 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.203 1.001 . . . . 0.0 109.645 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.5 tp -72.47 133.99 45.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.776 0.831 . . . . 0.0 109.905 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -89.33 117.96 28.66 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -68.01 -15.32 63.55 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -61.53 1.97 Allowed 'General case' 0 C--N 1.341 0.207 0 CA-C-N 118.646 0.657 . . . . 0.0 109.945 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.3 p -89.48 -25.5 21.42 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.693 0.797 . . . . 0.0 112.16 -171.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.2 m 62.23 52.84 3.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.719 1.608 . . . . 0.0 110.735 -169.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -117.06 154.76 30.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.793 1.637 . . . . 0.0 108.02 169.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.1 m -89.31 126.63 35.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -135.84 159.57 41.26 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.666 1.186 . . . . 0.0 109.542 -174.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -66.39 143.26 98.17 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 123.195 0.598 . . . . 0.0 110.284 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 N--CA 1.454 -0.816 0 C-N-CA 123.182 2.588 . . . . 0.0 110.453 178.739 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.0 m . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.36 176.06 20.03 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.731 1.157 . . . . 0.0 111.684 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.11 123.51 8.88 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 123.936 3.091 . . . . 0.0 110.683 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.19 -45.71 13.57 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.137 0.975 . . . . 0.0 110.274 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 t -79.29 175.3 10.72 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.566 0.746 . . . . 0.0 109.367 170.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.64 -39.31 91.28 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 172.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -149.11 -66.73 0.22 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.125 0.97 . . . . 0.0 109.645 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.3 78.13 8.06 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.975 0.91 . . . . 0.0 112.068 -171.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 17.05 2.37 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 173.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -68.71 -26.63 65.37 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.545 0.738 . . . . 0.0 111.237 172.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.7 -10.31 59.12 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.994 0.918 . . . . 0.0 111.62 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -108.68 147.38 31.99 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.728 1.211 . . . . 0.0 109.962 -177.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.7 m -99.94 142.74 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 168.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -139.7 135.22 32.95 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.674 0.79 . . . . 0.0 110.633 -169.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -80.57 124.18 82.23 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 171.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -70.57 -25.29 25.0 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.845 2.363 . . . . 0.0 112.955 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -89.27 -46.71 8.57 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.46 0.704 . . . . 0.0 110.767 -174.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -99.01 -11.2 21.73 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.679 0.791 . . . . 0.0 112.057 -172.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.4 m 65.4 21.41 11.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.694 1.198 . . . . 0.0 111.776 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -72.76 105.1 4.19 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.099 0.96 . . . . 0.0 108.465 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.4 m -99.87 143.38 30.16 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.173 0.989 . . . . 0.0 110.726 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -141.0 150.03 42.53 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.418 1.487 . . . . 0.0 108.165 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 82.8 m -78.79 133.72 37.05 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -71.47 -53.31 14.38 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -68.53 127.7 33.95 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.967 1.307 . . . . 0.0 109.916 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.4 p -109.87 161.09 15.8 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.27 1.028 . . . . 0.0 111.224 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.3 -31.45 72.26 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.663 0.785 . . . . 0.0 111.413 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 p -63.26 -47.13 83.68 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.168 0.587 . . . . 0.0 110.662 174.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -58.95 -46.41 88.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.168 0.587 . . . . 0.0 110.63 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.3 m -60.42 -46.09 91.28 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.002 0.365 . . . . 0.0 111.268 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -61.11 -32.97 72.65 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.87 1.268 . . . . 0.0 111.788 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.9 -30.16 68.83 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.122 0.419 . . . . 0.0 111.988 173.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -100.13 15.56 27.01 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.323 1.049 . . . . 0.0 111.198 174.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 58.87 48.46 11.11 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.358 1.463 . . . . 0.0 111.177 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.9 mt -134.61 176.38 8.68 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.501 1.92 . . . . 0.0 107.737 175.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -135.87 150.46 49.38 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.508 0.723 . . . . 0.0 110.073 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.6 tp -74.99 128.41 35.5 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.272 1.029 . . . . 0.0 110.071 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -89.5 107.18 18.93 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 106.671 -1.604 . . . . 0.0 106.671 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -57.54 -19.85 27.94 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -78.87 -50.11 11.78 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.301 0.641 . . . . 0.0 110.394 -173.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -98.75 -17.49 18.48 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.289 1.436 . . . . 0.0 111.768 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.7 m 50.5 54.69 10.71 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 126.762 2.025 . . . . 0.0 112.426 -172.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -118.73 161.37 20.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.877 1.671 . . . . 0.0 107.656 169.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -89.25 125.62 35.17 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -134.85 -176.46 4.25 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.478 1.511 . . . . 0.0 109.132 -175.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -52.18 136.78 39.19 Favored Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 123.906 0.882 . . . . 0.0 111.469 -173.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 C-N-CA 123.188 2.592 . . . . 0.0 110.613 -174.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 m . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 121.094 0.473 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.01 172.65 53.22 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.006 0.812 . . . . 0.0 111.742 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -75.96 131.13 12.91 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 123.209 2.606 . . . . 0.0 110.271 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.9 m -68.13 -42.81 79.63 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.869 0.868 . . . . 0.0 108.875 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t -71.61 -170.61 0.55 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.269 1.428 . . . . 0.0 109.553 169.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.11 -56.02 15.36 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 171.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.21 -60.55 0.62 Allowed 'General case' 0 C--N 1.34 0.162 0 C-N-CA 125.259 1.424 . . . . 0.0 108.159 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -73.69 86.4 1.65 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.04 1.336 . . . . 0.0 111.335 -175.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -90.87 40.39 1.02 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.883 0.873 . . . . 0.0 110.812 169.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -79.6 -36.12 38.54 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.996 0.519 . . . . 0.0 110.765 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -84.83 39.6 0.76 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.191 0.997 . . . . 0.0 110.5 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -147.39 162.86 38.14 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.921 1.288 . . . . 0.0 109.731 -172.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.8 m -125.0 129.61 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 168.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -108.9 130.0 55.43 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.971 0.908 . . . . 0.0 110.447 -172.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -67.21 130.66 93.6 Favored Pre-proline 0 CA--C 1.536 0.406 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -66.44 -42.25 10.26 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.937 2.425 . . . . 0.0 113.344 -169.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -89.07 -30.57 18.57 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -169.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.3 p -99.46 -22.98 15.27 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.344 0.658 . . . . 0.0 111.808 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 91.7 m 61.5 26.76 16.44 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.884 1.273 . . . . 0.0 112.575 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -90.14 134.46 34.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 171.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.4 m -101.58 155.53 18.03 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.099 0.56 . . . . 0.0 112.201 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -130.5 142.06 50.49 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 169.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 40.6 m -70.84 137.25 49.28 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.036 0.446 . . . . 0.0 111.172 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -71.2 -44.08 66.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.862 1.265 . . . . 0.0 109.246 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -80.16 146.98 31.53 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.012 1.325 . . . . 0.0 109.172 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.6 p -138.66 160.57 39.29 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.749 0.82 . . . . 0.0 110.624 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.97 -24.19 57.01 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.335 1.054 . . . . 0.0 112.282 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.6 m -62.94 -51.31 67.39 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.614 0.643 . . . . 0.0 110.57 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -61.19 -47.07 87.83 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.1 m -60.32 -46.26 90.53 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 122.815 0.446 . . . . 0.0 111.068 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -60.46 -41.42 94.11 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.962 0.905 . . . . 0.0 110.847 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.3 -27.92 66.3 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.733 0.413 . . . . 0.0 111.862 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -98.44 9.29 43.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.006 1.323 . . . . 0.0 111.023 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 61.94 44.97 7.82 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.97 1.708 . . . . 0.0 111.992 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.4 mt -140.26 -177.06 4.85 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.503 2.321 . . . . 0.0 107.655 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.5 mm-40 -138.47 159.37 42.25 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.216 1.007 . . . . 0.0 109.327 173.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -75.35 131.06 39.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.778 0.431 . . . . 0.0 110.467 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -89.13 100.24 13.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 169.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.79 -13.15 13.38 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -169.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -79.13 -57.03 3.93 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.697 0.681 . . . . 0.0 109.713 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.4 p -91.48 -20.08 22.13 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.568 1.147 . . . . 0.0 111.496 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 58.8 m 56.49 50.86 12.19 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 126.759 2.024 . . . . 0.0 111.775 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -110.84 162.01 15.23 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.928 1.691 . . . . 0.0 107.558 168.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.4 m -89.31 127.14 35.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -139.76 157.64 45.41 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.287 1.435 . . . . 0.0 109.163 -175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -69.15 129.65 91.85 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo . . . . . 0 N--CA 1.454 -0.819 0 C-N-CA 122.476 2.117 . . . . 0.0 111.055 -178.09 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 CA--C 1.532 0.267 0 CA-C-O 120.977 0.418 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.36 171.5 31.6 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.78 135.5 35.75 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.861 3.04 . . . . 0.0 110.848 -176.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.8 m -76.79 -44.49 32.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.496 0.718 . . . . 0.0 109.761 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.4 p -76.42 -179.94 5.48 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.141 0.976 . . . . 0.0 111.218 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -67.41 -82.45 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.14 1.376 . . . . 0.0 111.279 -171.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -151.14 -74.02 0.15 Allowed 'General case' 0 C--N 1.339 0.122 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -1.57 11.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.045 0.938 . . . . 0.0 113.117 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -76.1 59.02 1.28 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.092 1.757 . . . . 0.0 109.592 170.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -72.79 -15.5 61.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.597 1.559 . . . . 0.0 111.721 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -64.74 -13.83 56.42 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.715 1.206 . . . . 0.0 111.828 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -89.17 134.54 33.98 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 169.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.73 137.99 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 125.128 1.371 . . . . 0.0 108.424 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.13 148.35 25.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.167 1.387 . . . . 0.0 111.179 -169.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -102.17 118.17 59.67 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 125.116 1.367 . . . . 0.0 107.946 172.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.88 -10.01 19.7 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.23 2.62 . . . . 0.0 113.51 -172.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -89.38 -47.12 8.23 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.743 0.701 . . . . 0.0 110.248 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.9 p -99.63 -22.42 15.44 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.845 1.258 . . . . 0.0 111.967 -174.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m 77.31 3.64 3.18 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 126.071 1.748 . . . . 0.0 112.549 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -73.35 164.45 26.65 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.6 m -136.38 158.01 45.43 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.454 0.702 . . . . 0.0 110.081 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.8 p -140.4 147.83 40.33 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.406 1.082 . . . . 0.0 108.871 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.9 m -78.93 130.09 35.21 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.897 0.479 . . . . 0.0 111.164 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -61.22 -45.2 95.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.209 1.004 . . . . 0.0 109.541 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -77.22 115.07 16.69 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.562 1.145 . . . . 0.0 108.863 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -104.7 164.38 11.81 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.021 0.928 . . . . 0.0 111.115 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.03 -35.7 71.66 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.167 0.987 . . . . 0.0 110.523 169.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -62.73 -46.78 86.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.721 0.808 . . . . 0.0 110.669 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -60.68 -48.53 81.36 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.666 0.386 . . . . 0.0 110.36 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.9 m -59.94 -45.34 92.96 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.382 0.273 . . . . 0.0 110.911 176.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -61.57 -35.57 78.19 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.091 0.956 . . . . 0.0 111.484 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.73 -24.09 67.63 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.38 0.672 . . . . 0.0 111.893 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -99.55 8.49 44.42 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.907 1.283 . . . . 0.0 111.515 172.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 60.08 50.96 6.07 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.931 1.692 . . . . 0.0 110.929 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -138.93 173.46 11.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.289 1.836 . . . . 0.0 108.546 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -119.2 150.19 40.48 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 125.017 1.327 . . . . 0.0 109.035 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.3 tp -83.92 137.48 33.63 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.423 0.689 . . . . 0.0 109.952 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -89.38 112.32 23.4 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -63.04 -18.77 63.71 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -173.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -79.22 -51.65 9.2 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.468 0.576 . . . . 0.0 110.955 -174.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.5 t -107.43 -11.94 15.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.626 1.17 . . . . 0.0 112.662 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.0 m 54.78 57.17 5.91 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.517 1.527 . . . . 0.0 112.016 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -125.38 154.78 41.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.918 1.687 . . . . 0.0 107.161 169.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 84.3 m -88.87 142.73 27.41 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -140.22 159.58 41.88 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.455 1.502 . . . . 0.0 110.203 -173.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -69.59 138.94 88.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo . . . . . 0 N--CA 1.458 -0.583 0 C-N-CA 124.458 3.439 . . . . 0.0 112.891 175.531 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.1 m . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.619 0.247 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.79 171.49 34.58 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -60.67 128.47 25.87 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.778 2.985 . . . . 0.0 111.549 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.88 -44.03 17.38 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 169.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.6 t -76.41 -81.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.822 0.849 . . . . 0.0 110.59 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -145.67 -68.35 0.29 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.794 0.838 . . . . 0.0 110.432 -174.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ptt-85 -104.16 -42.31 5.56 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 124.599 1.16 . . . . 0.0 109.742 -172.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -171.16 120.17 0.51 Allowed 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 126.654 1.981 . . . . 0.0 105.657 170.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.73 134.55 24.77 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.378 1.071 . . . . 0.0 111.131 175.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -129.36 -54.08 1.18 Allowed 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.641 1.176 . . . . 0.0 109.735 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.3 mt -81.41 38.54 0.49 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.791 1.236 . . . . 0.0 110.865 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -150.16 147.68 28.03 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.109 1.364 . . . . 0.0 109.049 -171.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.76 137.73 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 168.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -125.7 133.92 51.98 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 124.277 1.031 . . . . 0.0 110.172 -170.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -70.69 124.83 91.61 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.51 -23.75 36.92 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.899 2.4 . . . . 0.0 113.475 -170.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -89.19 -47.27 8.18 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.159 0.584 . . . . 0.0 110.806 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.6 p -99.36 -14.82 19.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.106 0.962 . . . . 0.0 112.167 -173.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.3 m 65.69 20.09 11.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.232 1.413 . . . . 0.0 112.469 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -76.46 122.84 25.12 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.5 m -99.84 149.48 23.34 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.105 0.962 . . . . 0.0 111.345 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.6 p -140.15 146.81 39.28 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.421 1.488 . . . . 0.0 107.227 169.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.5 m -70.46 136.98 49.93 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 121.014 0.435 . . . . 0.0 111.73 -173.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -72.17 -45.76 59.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.61 1.164 . . . . 0.0 109.406 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -75.98 126.75 31.59 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.286 1.034 . . . . 0.0 108.613 173.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.0 p -106.29 163.47 12.8 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.062 0.945 . . . . 0.0 110.755 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -66.0 -31.56 72.53 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.986 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.7 t -61.81 -48.11 82.08 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.511 0.724 . . . . 0.0 110.358 173.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -51.33 -46.38 62.6 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.61 1.164 . . . . 0.0 110.441 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.12 -40.38 74.91 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.965 0.506 . . . . 0.0 112.309 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -62.79 -27.04 69.03 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.211 1.004 . . . . 0.0 111.643 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.26 57.08 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.924 0.889 . . . . 0.0 112.367 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.33 23.72 14.09 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.029 0.932 . . . . 0.0 111.579 176.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 57.68 48.86 13.32 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.432 1.493 . . . . 0.0 111.487 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.6 mt -127.99 177.4 6.9 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.849 1.659 . . . . 0.0 107.599 171.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -133.67 159.87 39.23 Favored 'General case' 0 C--O 1.228 -0.053 0 C-N-CA 123.334 0.653 . . . . 0.0 109.57 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 tp -72.17 142.04 49.07 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.38 1.072 . . . . 0.0 110.624 -175.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -88.81 112.54 23.35 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 171.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.31 -27.14 54.65 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.187 0.595 . . . . 0.0 112.503 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -79.43 -63.47 1.41 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.806 0.843 . . . . 0.0 111.099 -173.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -97.62 -21.44 17.05 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.731 0.812 . . . . 0.0 111.901 -172.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . 0.29 68.8 m 67.19 56.52 0.63 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.19 1.396 . . . . 0.0 111.865 -178.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -122.78 159.59 27.74 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 127.243 2.217 . . . . 0.0 106.866 168.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 79.7 m -89.11 136.26 33.11 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.36 165.1 28.32 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.364 1.466 . . . . 0.0 110.89 -172.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -68.89 119.47 69.71 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 168.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo . . . . . 0 CA--C 1.537 0.671 1 C-N-CA 125.537 4.158 . . . . 0.0 116.304 -171.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.625 0.25 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.9 -178.63 40.54 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.55 1.071 . . . . 0.0 110.755 175.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.61 126.98 10.58 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.461 2.774 . . . . 0.0 110.518 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.2 m -71.41 -52.49 18.28 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.866 0.866 . . . . 0.0 111.115 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.3 t -74.9 -73.81 0.23 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.821 0.448 . . . . 0.0 110.313 -173.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -144.59 -68.97 0.3 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.469 1.108 . . . . 0.0 108.474 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -141.73 -76.43 0.29 Allowed 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.515 1.126 . . . . 0.0 109.183 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 -82.78 58.42 4.29 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.149 0.98 . . . . 0.0 111.722 -170.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.86 126.51 30.8 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -144.28 -44.25 0.25 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.45 1.1 . . . . 0.0 110.726 -173.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.22 -11.08 37.21 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.15 0.98 . . . . 0.0 111.533 173.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -89.59 131.79 35.42 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.121 1.368 . . . . 0.0 108.678 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -99.95 133.01 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 169.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -119.83 138.98 53.05 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.304 1.042 . . . . 0.0 111.417 -169.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -72.08 119.37 74.17 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 123.957 0.903 . . . . 0.0 108.863 172.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -52.61 -33.8 60.33 Favored 'Trans proline' 0 CA--C 1.534 0.482 0 C-N-CA 123.79 2.993 . . . . 0.0 115.306 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -89.09 -46.37 8.88 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.432 0.693 . . . . 0.0 111.468 -169.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -99.05 -12.76 20.26 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.669 0.788 . . . . 0.0 111.954 -173.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.7 m 63.5 22.62 13.29 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.067 1.347 . . . . 0.0 111.759 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -76.45 116.95 17.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.876 0.87 . . . . 0.0 108.776 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.7 m -99.78 145.29 27.87 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.699 0.799 . . . . 0.0 111.691 -177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.6 t -140.83 145.73 36.64 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.26 1.424 . . . . 0.0 107.897 169.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.5 m -83.99 134.46 34.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 122.654 0.382 . . . . 0.0 111.294 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.73 -51.42 67.22 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 171.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -76.97 105.4 8.02 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.4 p -99.73 177.17 5.22 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.683 1.193 . . . . 0.0 110.943 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.8 -38.47 72.59 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.288 1.035 . . . . 0.0 110.846 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.7 p -67.53 -41.4 84.43 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.126 0.57 . . . . 0.0 111.339 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.23 -50.92 71.36 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.269 0.486 . . . . 0.0 110.375 175.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.2 m -64.68 -47.1 79.63 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.311 0.244 . . . . 0.0 111.421 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -62.33 -32.41 73.17 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.649 1.18 . . . . 0.0 112.09 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.09 -28.16 67.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.181 0.593 . . . . 0.0 111.849 173.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -102.29 12.74 36.18 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.769 1.228 . . . . 0.0 111.711 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 59.29 49.47 8.94 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.723 1.609 . . . . 0.0 111.011 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -133.92 170.04 16.21 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.936 1.694 . . . . 0.0 108.313 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -121.28 141.6 50.75 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.885 1.274 . . . . 0.0 109.484 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 tp -77.33 136.65 38.48 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.0 0.92 . . . . 0.0 110.646 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -89.31 113.66 24.96 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 169.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -53.72 -36.3 62.12 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.342 1.057 . . . . 0.0 113.266 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -78.9 -49.15 13.33 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.203 0.456 . . . . 0.0 111.819 -169.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.8 p -89.6 -24.2 21.75 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.359 0.664 . . . . 0.0 111.554 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.0 m 55.53 54.89 7.88 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.339 1.456 . . . . 0.0 110.256 -169.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -122.0 154.72 36.87 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.603 1.961 . . . . 0.0 107.422 169.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 65.9 m -89.31 142.13 27.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -140.02 159.04 43.07 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.519 1.528 . . . . 0.0 108.637 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -57.69 153.01 32.97 Favored Pre-proline 0 CA--C 1.538 0.495 0 C-N-CA 123.362 0.665 . . . . 0.0 110.955 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo . . . . . 0 CA--C 1.538 0.703 0 C-N-CA 125.119 3.88 . . . . 0.0 112.374 169.179 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.7 m . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.626 0.25 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.08 -174.5 48.99 Favored Glycine 0 CA--C 1.533 1.193 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 174.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.26 141.54 97.97 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.679 2.919 . . . . 0.0 112.709 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.3 m -90.21 -60.87 1.81 Allowed 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.192 0.997 . . . . 0.0 109.664 174.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.5 p -70.81 -67.25 0.52 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.652 0.781 . . . . 0.0 110.527 -174.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.96 -58.85 0.22 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.69 0.796 . . . . 0.0 111.231 177.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -151.69 -64.81 0.18 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.621 1.168 . . . . 0.0 108.526 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -85.04 67.05 10.06 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.732 1.213 . . . . 0.0 110.531 -173.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.14 58.73 3.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.459 0.647 . . . . 0.0 110.422 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -72.29 -54.83 8.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.935 0.894 . . . . 0.0 110.95 -174.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -91.64 50.45 1.71 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.261 1.024 . . . . 0.0 109.75 -175.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -133.49 138.77 46.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.509 1.524 . . . . 0.0 107.735 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.5 m -99.98 115.0 40.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 169.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -105.8 132.4 51.96 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.25 1.42 . . . . 0.0 111.279 -169.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.54 132.54 68.79 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 123.864 0.866 . . . . 0.0 108.913 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -71.23 -42.17 2.14 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.034 2.489 . . . . 0.0 113.046 -173.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -89.54 -30.15 18.41 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -170.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.1 p -99.33 -23.51 15.14 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.518 0.727 . . . . 0.0 111.593 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.8 m 63.77 23.62 13.52 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.72 1.208 . . . . 0.0 112.3 -174.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -87.37 132.76 33.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 171.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.1 m -110.48 154.68 23.3 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.258 0.623 . . . . 0.0 111.105 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -140.51 142.27 35.26 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.924 -1.509 . . . . 0.0 106.924 168.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.9 m -85.08 135.8 33.83 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.406 0.282 . . . . 0.0 111.513 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -61.56 -45.25 94.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 169.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -80.86 105.71 12.31 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.147 0.979 . . . . 0.0 108.479 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -99.42 174.12 6.43 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.287 1.035 . . . . 0.0 110.406 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -67.08 -32.99 74.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.024 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.0 p -65.36 -44.21 88.37 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.311 0.645 . . . . 0.0 110.819 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -56.01 -44.4 78.62 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.158 0.583 . . . . 0.0 110.354 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.7 m -68.02 -37.28 81.21 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.904 0.482 . . . . 0.0 111.82 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -37.63 80.47 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.477 0.711 . . . . 0.0 111.04 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.86 -25.9 61.36 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.939 0.896 . . . . 0.0 112.409 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -99.41 2.23 44.97 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.437 1.095 . . . . 0.0 110.947 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 61.17 52.01 4.13 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.8 1.64 . . . . 0.0 109.836 -173.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -138.4 173.69 11.34 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.932 2.093 . . . . 0.0 107.94 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -131.0 150.21 52.25 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.618 1.167 . . . . 0.0 109.841 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -80.76 136.37 36.13 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.697 0.799 . . . . 0.0 111.144 -173.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -90.42 112.04 23.51 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 169.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -66.65 -9.31 34.5 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -80.39 -56.11 4.42 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.951 0.796 . . . . 0.0 110.297 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.4 p -99.87 -22.04 15.47 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.862 1.265 . . . . 0.0 112.369 -175.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.3 m 61.06 56.91 2.65 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.925 1.69 . . . . 0.0 110.96 -168.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -115.43 154.36 29.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.586 1.554 . . . . 0.0 108.492 168.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.7 m -89.5 131.45 35.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.86 -171.95 3.2 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.847 1.659 . . . . 0.0 109.116 -173.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -41.06 132.22 1.92 Allowed Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 125.728 1.611 . . . . 0.0 111.492 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo . . . . . 0 C--N 1.35 0.627 0 C-N-CA 123.864 3.043 . . . . 0.0 109.91 178.473 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.1 m . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.16 -175.4 37.7 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 173.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.87 151.02 24.13 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 123.697 2.932 . . . . 0.0 110.208 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.1 m -75.04 -37.7 61.64 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 170.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 m -73.75 -178.23 3.09 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.568 1.547 . . . . 0.0 112.408 -173.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -58.45 -43.02 88.67 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.366 1.067 . . . . 0.0 111.483 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -141.53 -134.17 0.1 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -62.71 111.31 2.04 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.175 0.59 . . . . 0.0 109.692 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 62.0 0.59 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.052 1.741 . . . . 0.0 112.458 -176.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -60.61 -51.49 69.18 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.381 1.072 . . . . 0.0 111.416 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -86.19 33.6 0.62 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.114 0.966 . . . . 0.0 111.465 -174.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -143.88 144.89 31.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 125.149 1.38 . . . . 0.0 109.161 -175.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 m -105.59 113.7 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.901 1.28 . . . . 0.0 107.59 169.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -99.81 124.74 45.4 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.606 1.162 . . . . 0.0 109.561 -178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.19 127.83 93.6 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.84 -30.66 33.2 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 122.602 2.201 . . . . 0.0 113.042 -172.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -89.1 -41.89 12.03 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.37 0.532 . . . . 0.0 111.41 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -98.93 -19.01 17.56 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.353 0.661 . . . . 0.0 111.473 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.5 m 63.27 26.31 15.07 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.778 1.231 . . . . 0.0 112.218 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -90.54 138.1 31.83 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.24 1.416 . . . . 0.0 107.901 171.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.6 m -108.78 151.52 26.11 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.454 0.701 . . . . 0.0 111.291 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 m -136.53 139.69 42.42 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 169.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.7 m -75.25 139.96 42.9 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.468 0.307 . . . . 0.0 111.496 -174.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.08 -48.57 65.17 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 171.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -75.43 145.17 41.74 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.568 1.947 . . . . 0.0 109.326 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -129.33 162.19 28.55 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.764 0.826 . . . . 0.0 111.505 -173.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.69 -40.91 93.96 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.536 1.134 . . . . 0.0 110.837 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 p -62.33 -47.39 84.45 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.757 0.823 . . . . 0.0 110.712 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 -49.07 -50.24 37.71 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.855 1.262 . . . . 0.0 110.99 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.2 m -70.42 -46.62 63.57 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.518 0.327 . . . . 0.0 111.504 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -56.57 -37.3 70.39 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.583 1.153 . . . . 0.0 111.756 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.31 -37.23 62.06 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.689 0.796 . . . . 0.0 112.107 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -99.82 15.25 27.56 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.118 0.967 . . . . 0.0 111.71 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 58.47 50.86 8.73 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.312 1.445 . . . . 0.0 110.437 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.6 mt -131.3 173.55 10.95 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.802 2.041 . . . . 0.0 107.621 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -131.48 145.84 51.96 Favored 'General case' 0 C--N 1.338 0.099 0 C-N-CA 124.068 0.947 . . . . 0.0 109.846 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.7 tp -74.94 125.52 29.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.947 0.899 . . . . 0.0 109.59 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -89.18 103.06 15.71 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 174.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -49.9 -27.3 5.04 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.746 1.618 . . . . 0.0 114.549 -172.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -78.06 -44.29 26.77 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.152 0.581 . . . . 0.0 110.753 -170.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.5 p -105.78 -14.14 15.33 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.051 1.34 . . . . 0.0 112.002 -177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . 0.251 9.8 m 47.04 53.6 10.38 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 126.296 1.838 . . . . 0.0 111.964 -169.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -107.59 158.44 17.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.993 1.717 . . . . 0.0 107.191 168.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 73.2 m -89.43 122.13 32.33 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -125.01 -176.96 3.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.151 1.78 . . . . 0.0 108.612 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -49.16 147.53 5.01 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 124.174 0.989 . . . . 0.0 112.017 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 N--CA 1.455 -0.742 0 C-N-CA 123.555 2.837 . . . . 0.0 109.724 177.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.13 173.68 48.7 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -75.89 141.93 24.7 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.881 3.054 . . . . 0.0 109.956 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.0 m -68.89 -54.52 15.11 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.08 0.552 . . . . 0.0 110.013 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.8 p -88.83 -148.9 0.17 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.535 0.734 . . . . 0.0 109.023 171.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -71.07 -78.74 0.07 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.457 0.571 . . . . 0.0 111.528 -172.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -150.89 -47.29 0.12 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.071 0.548 . . . . 0.0 111.885 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -80.53 59.51 3.56 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.707 0.803 . . . . 0.0 109.579 176.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -87.16 37.26 0.76 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.081 0.952 . . . . 0.0 111.957 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -65.18 -32.47 74.17 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.721 0.809 . . . . 0.0 111.814 -173.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.42 -22.11 62.76 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.41 1.084 . . . . 0.0 111.387 176.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -89.92 143.27 26.94 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.482 0.713 . . . . 0.0 109.672 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.45 125.73 73.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 169.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -99.88 132.29 45.33 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.696 1.198 . . . . 0.0 110.417 -170.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.86 122.99 84.86 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-O 118.54 -0.743 . . . . 0.0 109.768 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.03 -37.66 57.62 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.896 3.064 . . . . 0.0 115.04 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -89.78 -48.78 7.03 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.701 0.8 . . . . 0.0 111.559 -169.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.6 p -99.09 -18.12 17.88 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.676 0.791 . . . . 0.0 112.04 -170.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.2 m 61.67 23.95 14.16 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.955 1.302 . . . . 0.0 112.79 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -90.06 135.51 33.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 169.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.11 157.76 16.78 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.23 0.538 . . . . 0.0 112.412 -175.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -137.88 144.31 41.29 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.663 1.585 . . . . 0.0 106.736 169.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.4 m -85.18 135.05 34.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 122.35 0.26 . . . . 0.0 111.426 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -63.66 -38.62 91.82 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.179 173.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -85.35 107.6 17.43 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.761 1.224 . . . . 0.0 108.254 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -99.93 166.41 11.07 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.78 0.832 . . . . 0.0 111.383 -174.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.02 -44.21 82.65 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.176 0.991 . . . . 0.0 110.01 171.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.8 m -58.56 -45.38 89.12 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.563 0.745 . . . . 0.0 110.839 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -62.74 -42.72 99.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.36 0.664 . . . . 0.0 110.972 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.9 m -62.81 -47.98 81.08 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.812 175.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -62.96 -33.17 74.8 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.154 0.982 . . . . 0.0 112.39 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.74 -26.13 66.98 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.937 0.495 . . . . 0.0 111.506 172.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -103.54 14.05 32.09 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.468 1.507 . . . . 0.0 111.383 174.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 59.83 49.67 7.72 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.41 1.884 . . . . 0.0 111.7 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.8 mt -140.1 176.72 8.52 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.925 1.69 . . . . 0.0 108.702 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -127.24 149.3 50.06 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 124.887 1.275 . . . . 0.0 109.018 176.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -85.97 137.02 33.03 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.569 0.748 . . . . 0.0 111.012 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -89.54 109.98 20.87 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 168.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -88.2 49.14 1.74 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.355 0.525 . . . . 0.0 110.529 -174.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -125.55 -51.81 1.6 Allowed 'General case' 0 C--N 1.339 0.121 0 C-N-CA 125.348 1.459 . . . . 0.0 107.672 171.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 t -110.04 -10.44 14.7 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.396 1.079 . . . . 0.0 112.231 176.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 56.3 m 59.21 55.71 4.2 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 125.051 1.34 . . . . 0.0 112.38 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -118.79 155.19 31.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.472 1.509 . . . . 0.0 107.522 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.9 m -88.99 145.52 25.45 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -140.24 163.69 32.07 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.773 1.629 . . . . 0.0 109.684 -175.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 143.8 91.48 Favored Pre-proline 0 CA--C 1.536 0.43 0 C-N-CA 123.382 0.673 . . . . 0.0 109.704 -178.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo . . . . . 0 N--CA 1.456 -0.732 0 C-N-CA 123.774 2.983 . . . . 0.0 111.089 -174.924 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.7 m . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.604 0.24 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.82 -175.37 39.74 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.637 1.113 . . . . 0.0 110.593 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.81 155.46 39.23 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.908 3.072 . . . . 0.0 110.477 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.2 m -67.31 -54.6 19.28 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.461 0.704 . . . . 0.0 110.389 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 t -88.2 -153.48 0.24 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.198 0.999 . . . . 0.0 108.802 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -60.93 -59.18 5.78 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.843 0.857 . . . . 0.0 109.938 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -150.87 -61.63 0.19 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.996 0.918 . . . . 0.0 109.155 173.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -84.53 67.16 9.84 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.316 1.047 . . . . 0.0 110.41 -174.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -61.97 2.15 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.979 0.912 . . . . 0.0 111.233 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m170 70.09 -66.28 0.28 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.51 1.924 . . . . 0.0 112.425 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.4 mt -85.09 42.76 0.96 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.809 1.244 . . . . 0.0 111.312 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -141.35 155.76 45.9 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.727 1.211 . . . . 0.0 109.924 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 m -116.16 143.69 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 125.529 1.532 . . . . 0.0 107.034 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -125.39 143.24 51.07 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.674 1.19 . . . . 0.0 109.421 -176.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -103.15 112.71 65.93 Favored Pre-proline 0 N--CA 1.452 -0.341 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.12 -11.18 29.89 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.242 1.961 . . . . 0.0 112.662 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -89.46 -14.08 36.13 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.988 0.915 . . . . 0.0 112.32 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.3 p -132.12 -22.53 2.27 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.263 1.025 . . . . 0.0 111.917 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.5 m 75.1 8.21 4.07 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 127.031 2.132 . . . . 0.0 112.438 -172.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -84.28 156.44 21.95 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.0 m -132.92 165.01 25.66 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.998 0.919 . . . . 0.0 111.218 -175.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.6 t -140.25 153.97 46.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.514 1.525 . . . . 0.0 106.916 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.3 m -74.85 142.22 44.17 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -63.9 -48.57 76.1 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 173.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -77.25 110.76 12.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.175 0.99 . . . . 0.0 108.666 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.3 p -99.92 160.96 13.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.072 0.949 . . . . 0.0 110.091 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.68 -26.61 68.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.172 0.589 . . . . 0.0 111.596 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.6 t -59.23 -47.46 85.24 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.584 0.753 . . . . 0.0 110.981 174.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -58.87 -49.23 78.53 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.1 m -56.38 -46.82 79.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 119.465 -0.303 . . . . 0.0 110.668 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.63 -41.4 97.45 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.098 0.959 . . . . 0.0 111.489 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.68 -25.27 66.25 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.97 0.508 . . . . 0.0 111.902 173.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -99.18 7.16 46.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.19 1.396 . . . . 0.0 111.175 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.81 49.8 5.85 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.905 1.682 . . . . 0.0 110.732 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.3 mt -140.39 176.81 8.47 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.718 2.407 . . . . 0.0 108.131 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -129.25 154.99 46.27 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.673 1.189 . . . . 0.0 108.893 170.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.0 tp -82.88 137.48 34.24 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.864 0.866 . . . . 0.0 110.9 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -89.62 111.3 22.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -57.29 -25.12 58.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.748 1.219 . . . . 0.0 113.444 -173.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -79.13 -57.97 3.47 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.1 0.56 . . . . 0.0 110.594 -170.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.6 t -93.47 -20.49 20.24 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.966 0.906 . . . . 0.0 111.574 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.3 m 59.78 57.32 3.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.202 1.401 . . . . 0.0 110.97 -173.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -120.52 151.45 39.36 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.655 1.982 . . . . 0.0 106.327 169.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.9 m -88.83 119.3 29.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.22 -177.64 3.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.306 1.842 . . . . 0.0 109.516 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 148.02 2.25 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 124.3 1.04 . . . . 0.0 112.481 -178.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 N--CA 1.452 -0.937 0 C-N-CA 123.01 2.473 . . . . 0.0 109.814 -178.61 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.23 163.27 37.45 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 171.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -49.78 138.79 33.14 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 124.253 3.302 . . . . 0.0 113.345 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.1 m -64.03 -79.95 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.613 0.765 . . . . 0.0 109.633 173.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -90.57 171.47 9.38 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.512 0.725 . . . . 0.0 110.144 173.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' CD ' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.18 -75.57 0.1 Allowed 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -169.507 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.403 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 70.7 ttt180 -151.95 -72.96 0.15 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.717 1.207 . . . . 0.0 108.732 -170.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -58.47 -30.03 66.65 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.583 1.953 . . . . 0.0 111.129 -174.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -72.44 68.08 0.77 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.011 1.725 . . . . 0.0 109.039 169.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -76.81 -19.89 57.03 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.365 1.466 . . . . 0.0 111.913 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -82.89 46.99 1.15 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.718 1.207 . . . . 0.0 110.885 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -136.34 146.46 46.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.009 1.723 . . . . 0.0 108.719 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.5 m -126.57 153.68 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.974 1.709 . . . . 0.0 107.718 171.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -140.22 140.38 35.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.649 0.78 . . . . 0.0 110.782 -169.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.71 119.42 75.34 Favored Pre-proline 0 CA--C 1.535 0.373 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 169.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.41 -20.04 28.01 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.008 2.472 . . . . 0.0 113.126 -172.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -91.37 -52.23 4.9 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.872 0.869 . . . . 0.0 110.887 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.5 p -99.21 -7.29 26.71 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.898 0.879 . . . . 0.0 112.537 -170.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m 69.41 18.59 7.86 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.145 1.378 . . . . 0.0 112.536 173.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.2 121.61 18.69 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.4 m -99.9 132.85 45.0 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.5 1.12 . . . . 0.0 109.502 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.4 m -141.23 143.47 34.17 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.406 0.682 . . . . 0.0 110.015 172.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -83.79 136.73 34.04 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.967 0.507 . . . . 0.0 110.255 169.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.84 -47.8 79.33 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.558 0.743 . . . . 0.0 109.228 173.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -74.6 107.02 6.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.5 p -99.9 167.17 10.69 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.117 0.967 . . . . 0.0 110.437 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.85 -33.62 76.43 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 122.922 0.489 . . . . 0.0 111.096 175.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 p -61.89 -41.55 98.03 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.456 0.702 . . . . 0.0 110.791 170.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.99 37.45 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 174.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.16 -40.99 91.86 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.681 0.792 . . . . 0.0 112.019 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -63.07 -24.63 67.99 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.959 0.904 . . . . 0.0 111.807 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.01 -29.48 67.28 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.515 0.598 . . . . 0.0 111.707 171.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -99.81 8.86 43.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.009 1.323 . . . . 0.0 111.323 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 55.78 45.53 24.16 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.33 1.452 . . . . 0.0 111.129 -171.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.5 mt -121.95 171.11 9.17 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.826 1.651 . . . . 0.0 108.564 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -128.31 145.69 50.99 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.377 1.071 . . . . 0.0 109.458 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 tp -79.71 136.4 36.77 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.984 0.914 . . . . 0.0 110.935 -174.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -89.46 109.97 20.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -50.17 -34.78 23.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.089 1.356 . . . . 0.0 113.743 -173.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -78.82 -51.38 9.81 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.142 0.428 . . . . 0.0 111.2 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 p -89.11 -23.07 22.58 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.225 0.61 . . . . 0.0 111.079 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.9 m 55.29 55.09 7.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.905 1.682 . . . . 0.0 110.733 -170.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -116.03 153.64 31.31 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.497 1.919 . . . . 0.0 107.478 170.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.8 m -89.51 134.92 33.88 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -140.05 169.38 17.8 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.801 1.24 . . . . 0.0 110.02 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -54.81 132.54 66.1 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 124.571 1.148 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo . . . . . 0 N--CA 1.457 -0.635 0 C-N-CA 124.059 3.172 . . . . 0.0 112.313 172.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.09 143.12 19.45 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 171.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.62 137.28 27.31 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 122.915 2.41 . . . . 0.0 110.146 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.9 m -68.34 -48.81 63.87 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.798 0.439 . . . . 0.0 110.062 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.2 p -82.38 175.81 9.94 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.286 1.035 . . . . 0.0 111.465 -177.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -90.03 -95.04 0.11 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.228 1.011 . . . . 0.0 111.229 -169.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 -150.16 -56.88 0.18 Allowed 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.527 1.131 . . . . 0.0 109.044 -174.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 66.5 mtp85 -55.27 -41.28 72.04 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 169.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -81.37 56.35 2.88 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.065 1.346 . . . . 0.0 109.45 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -84.61 9.72 12.99 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.461 0.704 . . . . 0.0 110.645 169.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -85.07 44.72 1.1 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.958 1.703 . . . . 0.0 108.917 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -147.38 156.47 42.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.969 1.708 . . . . 0.0 108.565 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.7 m -134.98 157.63 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.518 1.527 . . . . 0.0 108.078 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -140.1 139.02 35.75 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.878 0.871 . . . . 0.0 110.08 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -71.67 120.5 80.34 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 123.836 0.854 . . . . 0.0 109.743 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.21 -32.81 51.96 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.141 3.227 . . . . 0.0 115.584 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -89.55 -50.0 6.34 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.117 0.567 . . . . 0.0 111.307 -170.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.5 p -99.15 -13.81 19.62 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.002 0.921 . . . . 0.0 112.336 -170.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m 65.26 26.76 12.2 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.65 1.18 . . . . 0.0 111.582 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -79.01 120.11 23.12 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.3 m -98.68 141.88 30.94 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.578 0.751 . . . . 0.0 110.443 -177.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.3 m -140.31 146.51 38.61 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.87 1.268 . . . . 0.0 108.32 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.5 m -69.2 141.91 54.39 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.751 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.35 -44.27 59.1 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.309 1.043 . . . . 0.0 109.573 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -82.39 128.53 34.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.751 1.62 . . . . 0.0 109.35 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.4 p -113.0 158.46 20.25 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.745 1.218 . . . . 0.0 110.489 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.72 -28.82 69.69 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 123.771 0.828 . . . . 0.0 112.225 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 p -57.82 -47.22 83.26 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.659 0.783 . . . . 0.0 111.439 174.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -59.68 -48.85 80.02 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 122.856 0.462 . . . . 0.0 110.079 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.0 m -59.01 -47.5 85.0 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.983 0.513 . . . . 0.0 110.903 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -60.26 -33.71 72.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.239 1.416 . . . . 0.0 111.715 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.76 69.31 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 174.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -99.73 12.74 35.85 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.301 1.04 . . . . 0.0 110.955 174.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 59.29 46.38 12.83 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.356 1.462 . . . . 0.0 110.929 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.5 mt -129.03 176.38 7.93 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.631 1.972 . . . . 0.0 107.868 174.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -132.66 151.81 51.86 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.419 1.087 . . . . 0.0 109.397 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -72.86 134.1 44.7 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.9 0.88 . . . . 0.0 110.32 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -89.77 117.52 28.68 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 169.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -68.03 -16.5 64.06 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -171.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -79.52 -58.44 3.2 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.721 0.691 . . . . 0.0 110.422 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 t -102.95 -10.5 18.94 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.835 0.854 . . . . 0.0 112.44 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.8 m 57.74 55.72 5.3 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.636 1.175 . . . . 0.0 111.813 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -122.26 159.28 27.68 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.337 1.855 . . . . 0.0 106.961 170.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.5 m -89.26 133.97 34.24 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -177.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -140.0 155.85 46.9 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 125.043 1.337 . . . . 0.0 109.297 -175.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -65.9 141.16 97.49 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 122.498 0.319 . . . . 0.0 110.189 -177.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo . . . . . 0 N--CA 1.455 -0.752 0 C-N-CA 123.438 2.759 . . . . 0.0 111.192 -179.05 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.6 m . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 121.099 0.476 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.15 175.97 23.67 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 172.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -68.38 152.99 75.06 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.281 2.654 . . . . 0.0 109.956 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.3 m -65.06 -56.84 10.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.517 0.727 . . . . 0.0 110.027 -174.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.0 m -89.36 64.88 6.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.02 0.528 . . . . 0.0 109.872 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -76.42 76.78 3.16 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.225 0.61 . . . . 0.0 109.456 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -144.51 -147.26 0.21 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.102 1.761 . . . . 0.0 106.511 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -55.9 -24.88 40.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.964 0.906 . . . . 0.0 110.296 168.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -74.78 52.29 0.52 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.79 2.436 . . . . 0.0 111.468 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -66.88 -10.81 52.49 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.45 1.1 . . . . 0.0 111.11 169.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -55.33 -24.17 27.57 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.06 1.744 . . . . 0.0 110.996 170.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -88.72 133.75 34.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 175.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -126.13 168.08 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.727 1.611 . . . . 0.0 108.916 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -128.13 137.16 51.99 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.507 1.123 . . . . 0.0 110.36 -169.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.39 121.03 84.12 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 169.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.03 -23.12 46.86 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.38 2.72 . . . . 0.0 113.35 -170.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -89.5 -47.01 8.27 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.541 0.736 . . . . 0.0 111.094 -175.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.3 p -99.21 -17.58 18.06 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.642 0.777 . . . . 0.0 112.301 -170.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.0 m 63.58 29.75 15.14 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.661 1.184 . . . . 0.0 111.847 -174.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -82.47 133.72 35.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 173.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.3 m -99.03 132.63 44.19 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.493 0.717 . . . . 0.0 109.544 -176.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.8 p -141.38 142.13 33.76 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.14 0.976 . . . . 0.0 110.287 176.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 97.2 m -73.73 133.56 43.34 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.892 0.477 . . . . 0.0 111.196 170.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -66.02 -43.5 87.47 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.076 0.951 . . . . 0.0 109.573 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -76.22 136.01 39.7 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.692 1.197 . . . . 0.0 109.365 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.3 p -122.9 159.28 28.55 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.656 1.182 . . . . 0.0 110.461 -175.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -63.44 -30.81 71.88 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.942 172.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.6 m -59.83 -50.15 74.92 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.669 0.788 . . . . 0.0 110.68 173.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -57.74 -47.68 81.78 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.885 0.874 . . . . 0.0 110.518 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.1 m -62.16 -45.94 91.19 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.791 0.437 . . . . 0.0 111.353 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.73 -39.04 92.84 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 124.747 1.219 . . . . 0.0 111.58 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.51 -34.01 64.25 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.783 0.433 . . . . 0.0 111.211 172.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -99.23 17.73 19.28 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.143 1.377 . . . . 0.0 111.018 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 61.04 43.98 10.77 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.069 1.748 . . . . 0.0 112.566 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.0 mt -139.42 179.36 6.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.345 1.858 . . . . 0.0 108.226 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -134.31 149.79 50.92 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.787 0.835 . . . . 0.0 109.583 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.8 tp -76.11 126.06 30.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.504 0.721 . . . . 0.0 110.187 -177.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -89.32 98.54 11.82 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 168.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.48 -14.46 19.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.294 1.037 . . . . 0.0 113.418 -169.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -78.28 -46.02 21.3 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.315 -0.865 . . . . 0.0 109.449 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.3 p -90.01 -23.48 21.48 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.676 1.191 . . . . 0.0 111.507 177.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.6 m 52.43 47.61 24.36 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.975 2.11 . . . . 0.0 111.162 -168.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -121.0 157.77 29.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.026 1.73 . . . . 0.0 107.611 171.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.12 126.26 35.38 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -129.92 173.99 10.17 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.355 1.462 . . . . 0.0 109.379 -177.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 143.28 24.87 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 123.906 0.882 . . . . 0.0 111.668 -176.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 C-N-CA 122.629 2.219 . . . . 0.0 111.132 -173.387 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -123.12 177.13 16.62 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.534 1.54 . . . . 0.0 111.066 -176.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.7 144.18 58.88 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 124.199 3.266 . . . . 0.0 111.435 -171.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.9 m -61.39 -58.46 8.14 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.605 0.762 . . . . 0.0 110.214 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.1 m -74.2 158.38 34.23 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.814 0.446 . . . . 0.0 110.21 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.91 -42.51 3.08 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.677 1.191 . . . . 0.0 111.766 -174.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -65.71 0.96 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.284 1.034 . . . . 0.0 108.864 176.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -86.04 57.58 4.56 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.478 0.711 . . . . 0.0 110.126 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -90.8 -143.18 0.17 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.659 1.584 . . . . 0.0 109.331 172.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.1 m80 79.56 -51.67 0.41 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 126.189 1.796 . . . . 0.0 111.946 172.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.32 -11.12 38.65 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.307 1.443 . . . . 0.0 112.962 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.33 141.52 28.47 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.827 0.74 . . . . 0.0 112.144 -172.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.7 123.75 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 168.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -114.02 142.89 45.6 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.625 0.77 . . . . 0.0 111.698 -167.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.46 129.42 92.54 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 123.926 0.89 . . . . 0.0 110.207 -174.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -68.7 -11.27 31.44 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.953 3.102 . . . . 0.0 114.358 -172.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -117.5 -51.55 2.5 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 124.143 0.977 . . . . 0.0 111.268 -177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.8 p -99.21 -1.89 38.08 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -169.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.4 m 63.99 13.84 7.99 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.871 1.268 . . . . 0.0 113.954 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -72.89 135.87 45.18 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.652 0.66 . . . . 0.0 109.497 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.8 m -98.67 134.02 42.18 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.082 0.953 . . . . 0.0 109.436 -169.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 p -140.77 136.92 32.99 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.757 1.223 . . . . 0.0 109.096 175.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.7 m -88.26 144.74 26.25 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 122.871 0.468 . . . . 0.0 111.798 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -58.86 -46.2 88.32 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.576 1.15 . . . . 0.0 109.81 173.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -75.77 107.51 7.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.1 p -101.05 164.12 11.96 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.998 0.919 . . . . 0.0 111.564 -174.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.78 -34.85 65.64 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.435 1.094 . . . . 0.0 110.895 169.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.3 m -62.03 -47.49 84.51 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.95 0.9 . . . . 0.0 111.29 177.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -63.38 -45.08 92.75 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 122.916 0.486 . . . . 0.0 110.64 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.5 m -58.46 -45.74 88.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.3 0.24 . . . . 0.0 110.58 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.98 -41.65 92.47 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.584 1.154 . . . . 0.0 111.534 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.22 64.46 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.207 0.603 . . . . 0.0 111.792 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -99.1 13.78 31.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.981 1.313 . . . . 0.0 111.308 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 55.69 50.88 13.43 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 125.988 1.715 . . . . 0.0 112.31 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -140.28 176.4 8.8 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 127.291 2.236 . . . . 0.0 107.075 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -137.56 152.34 49.33 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 170.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 tp -81.32 139.4 35.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.197 0.999 . . . . 0.0 111.26 -170.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -89.37 115.62 26.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 167.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -64.18 -20.63 66.14 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -169.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.71 -58.71 3.05 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.538 0.735 . . . . 0.0 110.955 -172.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 t -98.2 -10.77 23.55 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.483 0.713 . . . . 0.0 111.842 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.5 m 59.01 51.54 7.1 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.036 1.334 . . . . 0.0 112.032 177.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -111.91 149.85 31.3 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 75.7 m -89.0 127.1 35.66 Favored 'General case' 0 C--N 1.338 0.08 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -137.05 -170.09 2.63 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.994 1.317 . . . . 0.0 109.972 -174.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -42.81 132.53 3.01 Favored Pre-proline 0 CA--C 1.539 0.527 0 C-N-CA 125.141 1.376 . . . . 0.0 112.307 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo . . . . . 0 N--CA 1.453 -0.861 0 C-N-CA 124.176 3.25 . . . . 0.0 112.886 173.264 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.95 169.8 34.18 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.72 126.77 23.52 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 124.546 3.497 . . . . 0.0 112.022 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 m -69.75 -49.38 53.63 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.268 0.627 . . . . 0.0 110.02 -177.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.5 p -90.01 22.19 3.33 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.78 1.232 . . . . 0.0 111.855 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 51.19 -112.52 0.64 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.953 1.701 . . . . 0.0 111.154 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -135.0 63.1 1.63 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.031 1.332 . . . . 0.0 107.716 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -136.82 -68.14 0.49 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.901 1.28 . . . . 0.0 107.866 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -90.11 70.21 7.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.28 1.032 . . . . 0.0 108.585 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -64.56 -15.23 60.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.267 1.427 . . . . 0.0 111.829 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.36 -10.81 26.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.084 1.353 . . . . 0.0 112.048 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -89.22 146.3 24.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.175 0.99 . . . . 0.0 109.294 175.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.57 145.52 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 125.103 1.361 . . . . 0.0 108.451 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -105.09 151.29 24.17 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.847 1.259 . . . . 0.0 111.299 -169.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -109.08 110.4 60.7 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 125.44 1.496 . . . . 0.0 107.422 169.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -77.22 2.15 7.96 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.96 2.44 . . . . 0.0 113.107 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -89.44 -44.94 9.8 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.822 0.849 . . . . 0.0 109.843 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.1 p -105.09 -26.6 12.04 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.898 1.279 . . . . 0.0 111.721 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m 84.56 8.75 0.46 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.013 2.125 . . . . 0.0 111.671 -171.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -68.89 155.74 39.71 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.7 m -127.65 155.28 44.15 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.62 0.768 . . . . 0.0 109.507 169.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -139.14 142.98 38.02 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.818 1.247 . . . . 0.0 108.403 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.0 m -73.47 127.76 33.61 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.153 0.581 . . . . 0.0 111.291 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.79 -44.14 96.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.477 1.111 . . . . 0.0 109.579 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -80.36 111.63 16.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.75 1.22 . . . . 0.0 108.538 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.4 p -103.37 170.84 7.71 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.391 1.076 . . . . 0.0 111.121 -175.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -58.92 -39.43 81.53 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.868 0.867 . . . . 0.0 110.328 169.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -62.72 -43.7 98.12 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.015 0.926 . . . . 0.0 110.829 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -59.58 -50.42 73.97 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.754 0.822 . . . . 0.0 110.517 177.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.6 m -63.11 -45.29 92.71 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.271 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -59.66 -40.9 89.27 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.481 1.112 . . . . 0.0 111.36 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.91 -30.58 69.14 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.249 0.62 . . . . 0.0 111.286 173.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -99.01 18.95 16.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.396 1.078 . . . . 0.0 111.093 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 59.16 43.49 17.14 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.368 1.867 . . . . 0.0 113.009 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.7 mt -140.17 -177.64 5.1 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.431 1.892 . . . . 0.0 108.167 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -130.42 149.99 51.84 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.69 0.796 . . . . 0.0 109.698 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 tp -81.27 136.9 35.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.284 1.034 . . . . 0.0 110.674 -175.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -89.8 111.21 22.15 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 168.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -62.3 -16.29 53.08 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -174.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -79.7 -56.97 3.9 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.786 0.721 . . . . 0.0 110.218 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -89.47 -22.92 22.24 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.789 0.835 . . . . 0.0 111.755 -176.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.7 m 58.88 52.51 6.44 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.092 1.757 . . . . 0.0 110.826 -169.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -121.92 154.2 37.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.962 1.705 . . . . 0.0 107.592 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 74.2 m -89.21 137.95 31.86 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -140.23 158.52 43.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.013 1.325 . . . . 0.0 109.737 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -73.4 131.39 82.84 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo . . . . . 0 N--CA 1.456 -0.726 0 C-N-CA 123.241 2.627 . . . . 0.0 110.687 -178.206 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 94.7 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.46 99.26 0.68 Allowed Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.906 1.241 . . . . 0.0 110.011 -176.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -47.31 131.28 18.22 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 124.505 3.47 . . . . 0.0 112.733 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.1 m -70.52 -52.78 19.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.633 0.773 . . . . 0.0 110.341 -175.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -82.44 -178.28 7.0 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.835 0.854 . . . . 0.0 110.911 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.68 -170.13 0.99 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.771 1.228 . . . . 0.0 110.651 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -88.14 -36.28 16.95 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.568 1.147 . . . . 0.0 108.033 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -50.11 -45.47 52.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.617 1.567 . . . . 0.0 109.794 168.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.43 58.48 1.71 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.749 2.019 . . . . 0.0 110.246 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -70.13 -19.22 63.23 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.581 1.552 . . . . 0.0 112.805 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.7 -9.12 48.53 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.304 1.042 . . . . 0.0 112.267 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -89.3 142.87 27.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.085 0.954 . . . . 0.0 108.994 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.19 163.16 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.525 1.53 . . . . 0.0 108.139 171.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -140.03 139.17 35.92 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.759 0.824 . . . . 0.0 109.705 -175.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.93 121.87 78.08 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.762 -178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.63 -42.4 29.64 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 124.381 3.387 . . . . 0.0 114.644 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -93.0 -49.64 5.92 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.6 0.76 . . . . 0.0 111.894 -170.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -99.0 -12.08 20.93 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.9 m 69.51 18.72 7.71 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.805 1.242 . . . . 0.0 113.761 172.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -79.45 135.41 36.66 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.5 m -99.38 136.52 39.21 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 124.054 0.941 . . . . 0.0 110.136 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.8 p -141.38 146.47 36.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.117 0.967 . . . . 0.0 109.904 172.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.5 m -79.51 137.2 37.11 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.762 0.425 . . . . 0.0 111.0 170.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -65.13 -46.82 79.38 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 171.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -76.17 123.51 25.96 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.06 0.944 . . . . 0.0 108.946 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.9 p -116.97 167.22 11.33 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.416 1.086 . . . . 0.0 111.243 -174.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -56.53 -38.08 71.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.479 1.112 . . . . 0.0 110.965 172.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.7 p -64.64 -46.45 82.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.453 0.701 . . . . 0.0 111.284 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -60.21 -46.34 90.07 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.156 0.582 . . . . 0.0 110.689 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.66 -46.82 83.89 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.153 0.181 . . . . 0.0 111.183 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -60.05 -39.51 86.23 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.433 1.093 . . . . 0.0 111.303 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.17 64.88 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.465 0.706 . . . . 0.0 111.827 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -98.68 8.93 44.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.549 1.14 . . . . 0.0 110.925 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 64.16 44.93 4.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.006 1.723 . . . . 0.0 111.491 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -134.45 172.87 12.3 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.244 1.818 . . . . 0.0 108.503 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -126.26 128.02 46.53 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.986 0.914 . . . . 0.0 109.716 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.3 124.62 23.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.722 0.409 . . . . 0.0 110.243 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -89.14 89.75 8.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 169.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.74 -16.37 0.07 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.958 2.103 . . . . 0.0 116.35 -175.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -78.42 -42.02 31.27 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 119.128 0.877 . . . . 0.0 110.273 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -109.04 -11.46 14.95 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.522 1.129 . . . . 0.0 111.915 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.2 m 50.17 58.61 5.29 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.739 2.016 . . . . 0.0 112.215 -173.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -126.0 153.32 44.52 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 125.534 1.534 . . . . 0.0 107.985 170.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -89.17 126.42 35.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.246 0.618 . . . . 0.0 109.533 -174.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -110.63 145.79 37.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.414 1.486 . . . . 0.0 111.156 -172.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -78.04 130.63 72.01 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 125.417 1.487 . . . . 0.0 109.429 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 N--CA 1.458 -0.592 0 C-N-CA 123.209 2.606 . . . . 0.0 110.038 177.83 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.8 m . . . . . 0 CA--C 1.531 0.214 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.58 -164.22 10.88 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 -173.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -53.31 142.52 56.85 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 124.442 3.428 . . . . 0.0 112.998 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.4 m -73.84 -75.24 0.16 Allowed 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.749 0.82 . . . . 0.0 110.232 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 t -90.39 -155.75 0.39 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.944 0.898 . . . . 0.0 110.257 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.7 172.16 6.73 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.521 1.128 . . . . 0.0 111.125 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -88.59 54.5 3.06 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 mtp-105 -155.98 -57.22 0.09 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 128.541 2.736 . . . . 0.0 105.488 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.0 69.12 0.96 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.942 2.097 . . . . 0.0 109.412 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -83.0 -2.34 55.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.93 1.292 . . . . 0.0 111.19 171.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -84.39 48.69 1.54 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.371 1.469 . . . . 0.0 108.85 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -140.89 149.94 42.56 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.158 1.783 . . . . 0.0 108.282 -174.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.5 m -129.16 151.71 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 125.67 1.588 . . . . 0.0 108.786 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -123.67 135.97 54.21 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.811 1.244 . . . . 0.0 109.526 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.21 122.44 82.87 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 123.475 0.71 . . . . 0.0 109.64 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -50.22 -31.44 29.12 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 124.195 3.263 . . . . 0.0 115.682 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -99.87 -49.81 4.22 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.769 0.827 . . . . 0.0 111.756 -171.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.3 p -99.22 -17.41 18.13 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.673 0.789 . . . . 0.0 112.365 -170.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.1 m 64.52 20.21 12.07 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.989 1.316 . . . . 0.0 112.734 -174.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -66.73 130.79 44.34 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 169.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 68.5 m -99.4 144.9 27.98 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.067 0.547 . . . . 0.0 110.539 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.4 m -140.75 156.47 46.18 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.228 1.411 . . . . 0.0 107.855 171.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.3 m -69.51 146.31 51.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.849 0.357 . . . . 0.0 110.603 171.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -64.02 -47.02 81.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.169 0.987 . . . . 0.0 109.225 172.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -84.61 145.51 27.98 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.94 1.296 . . . . 0.0 109.463 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.0 p -134.7 162.08 33.35 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 124.132 0.973 . . . . 0.0 111.188 -171.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -59.14 -37.87 78.3 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 123.971 0.909 . . . . 0.0 110.807 171.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m -62.6 -49.12 76.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.093 0.957 . . . . 0.0 110.809 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -57.76 -47.72 81.7 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.32 1.048 . . . . 0.0 110.856 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.71 -46.32 88.68 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.292 0.237 . . . . 0.0 111.171 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.23 -37.57 83.52 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.922 1.289 . . . . 0.0 111.72 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.66 -36.5 69.62 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.979 0.511 . . . . 0.0 111.129 173.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.69 24.27 8.52 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.84 0.856 . . . . 0.0 112.115 176.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 61.04 42.19 12.89 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.598 1.559 . . . . 0.0 112.963 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -138.31 179.93 6.17 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.992 1.717 . . . . 0.0 108.196 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -134.61 155.89 49.67 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.377 0.671 . . . . 0.0 109.791 173.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.2 tp -83.74 133.75 34.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.326 1.05 . . . . 0.0 111.502 -171.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -89.59 102.89 15.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 104.659 -2.348 . . . . 0.0 104.659 167.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -60.35 -12.87 10.38 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -172.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -79.24 -53.75 6.65 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.524 0.73 . . . . 0.0 109.777 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -89.83 -26.18 20.67 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.438 1.095 . . . . 0.0 111.238 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 69.2 m 60.21 57.42 2.95 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.414 1.886 . . . . 0.0 110.312 -169.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -126.18 154.79 42.73 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.369 1.868 . . . . 0.0 108.46 170.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 84.6 m -89.2 136.19 33.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -176.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -140.23 161.92 36.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.457 1.503 . . . . 0.0 109.764 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -70.66 127.89 91.49 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 C-N-CA 122.843 2.362 . . . . 0.0 109.902 177.205 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 111.177 0.065 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -164.32 131.52 3.22 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.167 0.987 . . . . 0.0 108.371 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 54.74 52.17 12.58 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.57 1.148 . . . . 0.0 110.223 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.82 98.59 2.46 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.07 0.948 . . . . 0.0 110.067 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -133.68 84.51 44.77 Favored Pre-proline 0 CA--C 1.531 0.238 0 C-N-CA 124.742 1.217 . . . . 0.0 108.585 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -55.39 145.87 65.39 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.772 2.982 . . . . 0.0 112.364 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.0 m -66.76 144.79 56.12 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.12 0.568 . . . . 0.0 110.889 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.76 118.39 6.14 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -43.21 135.19 5.99 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 125.038 3.826 . . . . 0.0 113.402 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.8 m -63.06 -61.81 2.13 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 124.465 1.106 . . . . 0.0 111.215 -169.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -84.92 68.88 10.68 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.74 0.816 . . . . 0.0 110.046 -177.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 61.21 -102.86 0.13 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.281 1.433 . . . . 0.0 110.861 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -150.22 -47.01 0.13 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.27 1.428 . . . . 0.0 109.525 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -48.05 -28.97 3.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.93 2.092 . . . . 0.0 114.201 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -71.62 70.72 0.68 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.006 1.322 . . . . 0.0 110.127 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -71.65 -19.22 62.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.297 1.039 . . . . 0.0 111.566 175.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.94 -15.79 62.62 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.559 1.144 . . . . 0.0 111.335 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -89.87 144.81 25.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.127 0.971 . . . . 0.0 109.307 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 m -118.06 157.33 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 125.648 1.579 . . . . 0.0 107.614 169.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -134.32 139.33 45.6 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.703 0.801 . . . . 0.0 110.794 -170.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.1 129.28 93.11 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 123.78 0.832 . . . . 0.0 109.167 176.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -68.93 -27.09 30.94 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.233 2.622 . . . . 0.0 113.919 -169.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -97.98 -47.95 5.33 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.423 0.689 . . . . 0.0 112.138 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.2 p -99.57 -8.65 24.25 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.592 0.757 . . . . 0.0 112.801 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 m 67.19 18.92 10.4 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.707 1.203 . . . . 0.0 113.453 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -81.63 130.27 34.99 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 77.6 m -102.64 144.33 31.17 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.601 0.76 . . . . 0.0 111.834 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -140.59 145.7 37.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.011 1.324 . . . . 0.0 108.767 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.2 m -79.58 140.87 37.02 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.292 0.637 . . . . 0.0 111.984 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -66.72 -46.97 73.81 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.552 0.741 . . . . 0.0 109.191 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -74.41 150.72 39.86 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.294 1.038 . . . . 0.0 109.716 176.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 p -140.0 160.86 38.98 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.934 0.894 . . . . 0.0 111.268 -172.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.11 -31.94 72.45 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.436 0.694 . . . . 0.0 111.127 170.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 p -64.37 -47.99 77.19 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.145 0.578 . . . . 0.0 110.95 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -56.46 -51.98 66.41 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 122.851 0.46 . . . . 0.0 110.314 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.9 m -60.73 -43.28 98.08 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.39 0.276 . . . . 0.0 111.427 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.15 -39.0 88.45 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.949 0.9 . . . . 0.0 111.289 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.03 -24.48 66.21 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.945 0.498 . . . . 0.0 112.088 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -99.27 8.32 44.86 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.033 1.333 . . . . 0.0 110.934 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.67 47.28 8.35 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.98 1.712 . . . . 0.0 110.803 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -140.2 179.69 6.49 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.585 2.354 . . . . 0.0 107.533 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -135.14 163.85 29.0 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.61 0.764 . . . . 0.0 109.055 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 tp -84.96 132.19 34.39 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.313 0.645 . . . . 0.0 110.692 -173.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -89.25 103.07 15.73 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 168.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.31 -6.29 9.48 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -79.26 -55.96 4.7 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.778 0.831 . . . . 0.0 109.283 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.2 p -93.09 -21.5 19.67 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.974 1.309 . . . . 0.0 111.659 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.8 m 57.88 50.42 10.48 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 126.272 1.829 . . . . 0.0 110.904 -169.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.9 mtp-105 -114.39 159.38 20.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.87 1.668 . . . . 0.0 107.835 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.4 m -89.21 125.15 34.95 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -124.35 175.45 7.09 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.907 1.683 . . . . 0.0 109.674 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -53.89 142.93 43.23 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 123.492 0.717 . . . . 0.0 110.684 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.73 113.58 3.69 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.742 2.295 . . . . 0.0 110.044 -172.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -83.24 67.0 9.04 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.918 0.887 . . . . 0.0 108.859 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? . . . . . 0 C--O 1.251 1.167 0 C-N-CA 125.223 1.409 . . . . 0.0 108.063 -172.284 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -121.06 -178.16 3.68 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.425 1.49 . . . . 0.0 108.472 173.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 60.03 78.07 0.29 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.622 1.169 . . . . 0.0 110.804 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 63.79 59.7 1.12 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.214 1.406 . . . . 0.0 111.201 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -95.24 111.48 55.17 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 170.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -82.22 15.43 2.0 Allowed 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 123.006 2.471 . . . . 0.0 112.49 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.6 m -135.12 -169.38 2.36 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 124.884 1.273 . . . . 0.0 108.988 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.34 -166.42 10.77 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -54.69 130.65 41.48 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 124.31 3.34 . . . . 0.0 112.383 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.2 m -67.66 -27.93 67.27 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.795 0.438 . . . . 0.0 110.332 172.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.5 p -71.28 -10.43 59.75 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.274 1.03 . . . . 0.0 112.182 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 78.34 -33.0 0.16 Allowed 'General case' 0 C--N 1.344 0.337 0 C-N-CA 127.192 2.197 . . . . 0.0 113.892 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -89.23 -81.9 0.26 Allowed 'General case' 0 C--N 1.34 0.155 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.9 tpt85 -165.43 99.86 0.71 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 158.7 24.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.507 0.723 . . . . 0.0 111.349 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -146.01 -51.54 0.24 Allowed 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.456 1.103 . . . . 0.0 108.935 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.41 -27.42 67.83 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.506 1.122 . . . . 0.0 111.047 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -89.81 136.06 33.26 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.058 0.943 . . . . 0.0 109.636 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 m -105.34 133.55 49.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 168.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -117.95 139.89 50.51 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 124.148 0.979 . . . . 0.0 110.364 -171.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.87 126.14 62.36 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 124.257 1.023 . . . . 0.0 108.795 176.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.65 -14.95 21.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.082 2.521 . . . . 0.0 113.838 -174.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -89.42 -48.27 7.45 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.978 0.808 . . . . 0.0 110.289 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.7 p -99.43 -13.14 19.67 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.118 0.967 . . . . 0.0 112.17 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.7 m 61.71 31.65 18.51 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.829 1.252 . . . . 0.0 111.795 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -88.8 121.4 31.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.8 m -99.03 138.29 36.34 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.8 m -140.14 137.96 34.85 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.118 0.967 . . . . 0.0 108.444 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 75.5 m -75.53 121.8 22.92 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.145 0.578 . . . . 0.0 110.718 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.04 -39.81 94.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.557 0.743 . . . . 0.0 109.9 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -73.05 120.88 19.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.547 0.739 . . . . 0.0 109.032 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.1 p -114.79 162.2 17.17 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.196 0.998 . . . . 0.0 110.565 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.15 -32.32 62.01 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.809 1.244 . . . . 0.0 111.873 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 m -58.14 -49.0 78.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.162 0.985 . . . . 0.0 111.337 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -61.27 -49.05 78.63 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.406 0.682 . . . . 0.0 109.833 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.8 m -59.37 -46.31 89.0 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.038 0.535 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.45 -39.68 94.15 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.783 0.833 . . . . 0.0 111.106 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.4 -23.59 65.91 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.104 0.561 . . . . 0.0 112.221 173.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -99.08 6.7 46.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.881 1.272 . . . . 0.0 111.142 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.24 48.91 7.66 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 125.558 1.543 . . . . 0.0 110.629 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 mt -140.09 -178.04 5.27 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.758 2.423 . . . . 0.0 107.111 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.3 mm-40 -137.95 155.12 49.21 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.789 0.835 . . . . 0.0 109.803 173.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.3 tp -74.3 125.88 29.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.282 0.633 . . . . 0.0 110.364 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -89.1 98.0 11.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.86 -7.84 9.22 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -169.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -78.88 -55.94 4.77 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.0 p -89.92 -20.79 22.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.572 1.149 . . . . 0.0 111.624 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.7 m 57.58 51.04 10.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.716 2.007 . . . . 0.0 110.916 -169.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -119.62 156.61 30.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.736 1.615 . . . . 0.0 107.941 173.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.6 m -89.31 125.32 35.06 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -139.33 147.81 42.07 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.238 1.415 . . . . 0.0 108.415 -177.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -66.49 143.77 98.35 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-O 119.315 -0.374 . . . . 0.0 111.321 -174.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.494 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 40.9 Cg_endo -68.39 -63.32 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.71 2.274 . . . . 0.0 110.517 177.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 74.9 ttt-85 179.1 87.64 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 176.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.09 -1.433 . . . . 0.0 109.717 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 111.301 0.112 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 -97.69 -14.03 21.13 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.577 1.151 . . . . 0.0 111.099 172.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.23 60.7 4.44 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.743 1.217 . . . . 0.0 109.716 -177.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -163.08 178.42 8.31 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.475 1.11 . . . . 0.0 109.771 -172.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -147.68 77.36 10.4 Favored Pre-proline 0 CA--C 1.537 0.446 0 C-N-CA 124.02 0.928 . . . . 0.0 110.865 -172.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -46.94 129.56 14.93 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 124.581 3.521 . . . . 0.0 113.222 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 m -87.69 176.24 7.51 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.983 0.913 . . . . 0.0 111.169 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.67 171.23 55.0 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 174.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -69.63 146.26 60.47 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.915 3.077 . . . . 0.0 111.904 -173.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.5 m -86.23 -48.61 8.39 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.687 0.795 . . . . 0.0 109.694 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 p -85.32 -79.03 0.24 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.591 1.156 . . . . 0.0 111.191 -173.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.04 -150.22 0.3 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.432 1.093 . . . . 0.0 110.01 -175.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -88.25 -36.4 16.75 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.871 0.76 . . . . 0.0 112.188 -169.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -94.95 43.27 1.09 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.275 1.03 . . . . 0.0 110.153 -177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 21.76 0.2 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -169.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -63.66 -22.13 66.74 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.083 0.856 . . . . 0.0 113.15 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.93 -30.96 71.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.903 0.881 . . . . 0.0 110.844 171.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -89.71 139.82 30.19 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.853 1.261 . . . . 0.0 109.135 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -110.65 131.88 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -119.0 138.92 52.48 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 124.083 0.953 . . . . 0.0 110.853 -169.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -82.68 125.32 76.06 Favored Pre-proline 0 N--CA 1.453 -0.312 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.64 -22.72 23.86 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.67 2.247 . . . . 0.0 113.121 -170.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -89.25 -41.58 12.11 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.867 0.758 . . . . 0.0 111.272 -174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -99.18 -17.87 17.93 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.966 0.906 . . . . 0.0 111.852 -176.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.3 m 68.97 13.1 8.78 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.363 1.465 . . . . 0.0 112.468 -176.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -71.15 124.18 23.86 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 70.8 m -99.39 142.34 31.0 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.894 0.877 . . . . 0.0 109.452 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -140.3 142.42 35.68 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.65 1.18 . . . . 0.0 108.256 173.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.6 m -82.69 130.19 35.08 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 122.522 0.329 . . . . 0.0 111.479 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -67.76 -40.7 84.05 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.357 0.663 . . . . 0.0 109.42 171.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -82.65 147.18 28.68 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.798 1.239 . . . . 0.0 109.741 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.9 p -138.13 163.68 31.06 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.716 0.807 . . . . 0.0 111.345 -171.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.69 -30.05 70.2 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.555 0.742 . . . . 0.0 111.255 174.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.3 p -65.18 -46.29 81.4 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.631 0.372 . . . . 0.0 110.659 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 -61.33 -49.4 77.12 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 122.944 0.498 . . . . 0.0 110.572 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.5 m -57.91 -46.75 84.49 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -63.54 -38.72 92.22 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.23 1.012 . . . . 0.0 112.045 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.72 -27.84 66.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.926 0.49 . . . . 0.0 111.518 172.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -99.45 14.61 29.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.027 1.331 . . . . 0.0 111.244 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 59.88 48.81 8.51 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.791 1.636 . . . . 0.0 111.276 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.4 mt -140.7 -178.08 5.36 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.35 2.26 . . . . 0.0 108.27 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -138.01 147.55 44.29 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.894 0.878 . . . . 0.0 110.295 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 tp -79.48 129.18 34.23 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.807 0.843 . . . . 0.0 110.365 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -89.42 99.87 12.78 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 168.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -52.75 -22.81 5.7 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.727 1.611 . . . . 0.0 113.971 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -78.61 -34.67 46.51 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.543 0.611 . . . . 0.0 110.901 -174.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.8 p -107.9 -17.78 13.97 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.121 1.369 . . . . 0.0 111.561 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.8 m 50.07 43.99 25.77 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.863 2.065 . . . . 0.0 112.425 -169.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -113.33 158.82 20.09 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.468 1.507 . . . . 0.0 107.724 170.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 70.8 m -89.33 144.2 26.26 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -140.15 -174.3 3.89 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.814 2.046 . . . . 0.0 108.783 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -49.94 146.99 7.22 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 124.119 0.968 . . . . 0.0 112.356 -174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -70.68 76.28 1.52 Allowed 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 124.119 3.213 . . . . 0.0 108.533 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -176.01 -55.89 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 127.159 2.184 . . . . 0.0 106.1 -168.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? . . . . . 0 C--O 1.25 1.116 0 C-N-CA 125.141 1.376 . . . . 0.0 108.017 175.675 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.4 ttp-105 -111.81 -52.72 2.77 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 125.046 1.338 . . . . 0.0 109.527 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -112.15 -174.47 2.47 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.474 1.51 . . . . 0.0 109.568 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.3 mp0 -58.43 116.59 3.74 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.082 0.953 . . . . 0.0 110.042 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -141.23 152.58 64.82 Favored Pre-proline 0 CA--C 1.531 0.229 0 C-N-CA 124.988 1.315 . . . . 0.0 108.61 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.47 80.87 2.18 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.499 2.8 . . . . 0.0 108.925 174.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -65.05 149.09 50.48 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.436 1.094 . . . . 0.0 111.58 -175.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.7 163.06 53.62 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.13 129.81 15.64 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.568 2.846 . . . . 0.0 111.081 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 86.2 m -67.06 -58.35 5.07 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.859 0.864 . . . . 0.0 109.904 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.4 p -78.42 149.72 33.23 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.717 0.807 . . . . 0.0 110.245 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.27 -20.91 66.63 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.17 0.588 . . . . 0.0 111.365 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -89.62 165.66 14.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.796 1.239 . . . . 0.0 110.481 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -75.32 85.94 2.5 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 174.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -57.73 160.24 4.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -171.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -176.83 -41.45 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 128.179 2.591 . . . . 0.0 107.363 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.1 mt -60.28 -35.17 74.93 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.46 1.104 . . . . 0.0 110.426 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -89.25 136.69 32.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.034 0.934 . . . . 0.0 109.15 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.6 m -107.7 129.23 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 169.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -109.11 141.82 40.74 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.509 1.124 . . . . 0.0 110.532 -173.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -99.16 116.4 65.17 Favored Pre-proline 0 N--CA 1.452 -0.335 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -72.85 -4.4 15.31 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.998 2.465 . . . . 0.0 112.911 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -88.59 -45.8 9.58 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 123.463 0.705 . . . . 0.0 109.877 -174.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.1 p -99.79 -32.02 11.23 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.31 1.044 . . . . 0.0 111.512 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.6 m 87.31 1.16 0.47 Allowed 'General case' 0 C--N 1.343 0.309 0 C-N-CA 127.835 2.454 . . . . 0.0 112.271 -169.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -66.42 143.11 57.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 118.523 0.601 . . . . 0.0 109.792 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.8 m -114.87 154.15 29.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.282 1.033 . . . . 0.0 110.03 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -140.28 145.21 37.0 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.183 0.993 . . . . 0.0 108.509 169.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -76.8 124.9 28.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.201 0.6 . . . . 0.0 110.352 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.51 -36.04 79.4 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.959 0.903 . . . . 0.0 110.23 173.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -77.07 116.93 18.15 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -107.8 162.21 14.2 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.183 0.993 . . . . 0.0 110.811 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.5 -35.96 68.61 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.995 0.918 . . . . 0.0 110.712 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 t -62.68 -49.1 76.46 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.837 0.855 . . . . 0.0 110.557 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -57.11 -44.41 83.22 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.195 0.598 . . . . 0.0 110.595 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.5 m -66.18 -46.18 78.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.977 0.511 . . . . 0.0 111.321 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -64.1 -33.78 76.56 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.992 0.917 . . . . 0.0 111.877 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.37 -25.58 67.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.52 0.728 . . . . 0.0 111.978 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -101.13 10.66 40.66 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.625 1.57 . . . . 0.0 111.653 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 59.62 48.91 8.93 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.96 1.704 . . . . 0.0 111.195 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.5 mt -135.52 179.24 6.46 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.234 1.814 . . . . 0.0 108.039 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -132.18 143.82 50.23 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.203 1.001 . . . . 0.0 109.645 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.5 tp -72.47 133.99 45.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.776 0.831 . . . . 0.0 109.905 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -89.33 117.96 28.66 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -68.01 -15.32 63.55 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -61.53 1.97 Allowed 'General case' 0 C--N 1.341 0.207 0 CA-C-N 118.646 0.657 . . . . 0.0 109.945 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.3 p -89.48 -25.5 21.42 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.693 0.797 . . . . 0.0 112.16 -171.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.2 m 62.23 52.84 3.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.719 1.608 . . . . 0.0 110.735 -169.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -117.06 154.76 30.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.793 1.637 . . . . 0.0 108.02 169.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.1 m -89.31 126.63 35.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -135.84 159.57 41.26 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.666 1.186 . . . . 0.0 109.542 -174.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -66.39 143.26 98.17 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 123.195 0.598 . . . . 0.0 110.284 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -67.25 -48.22 1.85 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.182 2.588 . . . . 0.0 110.453 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -172.51 -60.71 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.7 mtm105 . . . . . 0 C--O 1.252 1.217 0 CA-C-O 117.636 -1.173 . . . . 0.0 109.917 171.696 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 110.76 -0.089 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -85.01 82.52 8.42 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -75.51 78.42 2.54 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.0 0.92 . . . . 0.0 111.355 -172.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -83.54 39.91 0.7 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.214 1.005 . . . . 0.0 110.036 169.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -151.22 156.63 35.2 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 126.207 1.803 . . . . 0.0 108.265 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -77.85 74.12 5.38 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.415 2.744 . . . . 0.0 111.63 -174.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.0 m -135.82 168.48 19.23 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.194 1.397 . . . . 0.0 109.262 171.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.36 176.06 20.03 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.731 1.157 . . . . 0.0 111.684 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.11 123.51 8.88 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 123.936 3.091 . . . . 0.0 110.683 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.19 -45.71 13.57 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.137 0.975 . . . . 0.0 110.274 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 t -79.29 175.3 10.72 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.566 0.746 . . . . 0.0 109.367 170.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.64 -39.31 91.28 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 172.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -149.11 -66.73 0.22 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.125 0.97 . . . . 0.0 109.645 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.3 78.13 8.06 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.975 0.91 . . . . 0.0 112.068 -171.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 17.05 2.37 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 173.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -68.71 -26.63 65.37 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.545 0.738 . . . . 0.0 111.237 172.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.7 -10.31 59.12 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.994 0.918 . . . . 0.0 111.62 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -108.68 147.38 31.99 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.728 1.211 . . . . 0.0 109.962 -177.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.7 m -99.94 142.74 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 168.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -139.7 135.22 32.95 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.674 0.79 . . . . 0.0 110.633 -169.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -80.57 124.18 82.23 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 171.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -70.57 -25.29 25.0 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.845 2.363 . . . . 0.0 112.955 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -89.27 -46.71 8.57 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.46 0.704 . . . . 0.0 110.767 -174.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -99.01 -11.2 21.73 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.679 0.791 . . . . 0.0 112.057 -172.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.4 m 65.4 21.41 11.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.694 1.198 . . . . 0.0 111.776 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -72.76 105.1 4.19 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.099 0.96 . . . . 0.0 108.465 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.4 m -99.87 143.38 30.16 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.173 0.989 . . . . 0.0 110.726 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -141.0 150.03 42.53 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.418 1.487 . . . . 0.0 108.165 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 82.8 m -78.79 133.72 37.05 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -71.47 -53.31 14.38 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -68.53 127.7 33.95 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.967 1.307 . . . . 0.0 109.916 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.4 p -109.87 161.09 15.8 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.27 1.028 . . . . 0.0 111.224 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.3 -31.45 72.26 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.663 0.785 . . . . 0.0 111.413 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 p -63.26 -47.13 83.68 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.168 0.587 . . . . 0.0 110.662 174.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -58.95 -46.41 88.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.168 0.587 . . . . 0.0 110.63 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.3 m -60.42 -46.09 91.28 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.002 0.365 . . . . 0.0 111.268 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -61.11 -32.97 72.65 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.87 1.268 . . . . 0.0 111.788 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.9 -30.16 68.83 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.122 0.419 . . . . 0.0 111.988 173.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -100.13 15.56 27.01 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.323 1.049 . . . . 0.0 111.198 174.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 58.87 48.46 11.11 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.358 1.463 . . . . 0.0 111.177 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.9 mt -134.61 176.38 8.68 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.501 1.92 . . . . 0.0 107.737 175.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -135.87 150.46 49.38 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.508 0.723 . . . . 0.0 110.073 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.6 tp -74.99 128.41 35.5 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.272 1.029 . . . . 0.0 110.071 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -89.5 107.18 18.93 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 106.671 -1.604 . . . . 0.0 106.671 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -57.54 -19.85 27.94 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -78.87 -50.11 11.78 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.301 0.641 . . . . 0.0 110.394 -173.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -98.75 -17.49 18.48 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.289 1.436 . . . . 0.0 111.768 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.7 m 50.5 54.69 10.71 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 126.762 2.025 . . . . 0.0 112.426 -172.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -118.73 161.37 20.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.877 1.671 . . . . 0.0 107.656 169.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -89.25 125.62 35.17 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -134.85 -176.46 4.25 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.478 1.511 . . . . 0.0 109.132 -175.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -52.18 136.78 39.19 Favored Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 123.906 0.882 . . . . 0.0 111.469 -173.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.92 104.1 1.7 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.188 2.592 . . . . 0.0 110.613 -174.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -79.84 88.02 5.28 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 ptm85 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.004 -1.474 . . . . 0.0 110.03 178.421 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.96 0.409 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -87.92 -50.13 6.63 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.683 1.193 . . . . 0.0 110.611 -173.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -73.01 -70.63 0.35 Allowed 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -79.16 124.49 28.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -115.85 93.42 37.77 Favored Pre-proline 0 CA--C 1.534 0.332 0 C-N-CA 124.485 1.114 . . . . 0.0 108.591 -175.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.16 110.79 3.14 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.809 2.339 . . . . 0.0 109.682 -174.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 m -61.31 146.77 46.92 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.165 0.586 . . . . 0.0 110.939 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.01 172.65 53.22 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.006 0.812 . . . . 0.0 111.742 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -75.96 131.13 12.91 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 123.209 2.606 . . . . 0.0 110.271 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.9 m -68.13 -42.81 79.63 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.869 0.868 . . . . 0.0 108.875 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t -71.61 -170.61 0.55 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.269 1.428 . . . . 0.0 109.553 169.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.11 -56.02 15.36 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 171.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.21 -60.55 0.62 Allowed 'General case' 0 C--N 1.34 0.162 0 C-N-CA 125.259 1.424 . . . . 0.0 108.159 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -73.69 86.4 1.65 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.04 1.336 . . . . 0.0 111.335 -175.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -90.87 40.39 1.02 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.883 0.873 . . . . 0.0 110.812 169.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -79.6 -36.12 38.54 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.996 0.519 . . . . 0.0 110.765 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -84.83 39.6 0.76 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.191 0.997 . . . . 0.0 110.5 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -147.39 162.86 38.14 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.921 1.288 . . . . 0.0 109.731 -172.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.8 m -125.0 129.61 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 168.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -108.9 130.0 55.43 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.971 0.908 . . . . 0.0 110.447 -172.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -67.21 130.66 93.6 Favored Pre-proline 0 CA--C 1.536 0.406 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -66.44 -42.25 10.26 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.937 2.425 . . . . 0.0 113.344 -169.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -89.07 -30.57 18.57 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -169.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.3 p -99.46 -22.98 15.27 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.344 0.658 . . . . 0.0 111.808 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 91.7 m 61.5 26.76 16.44 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.884 1.273 . . . . 0.0 112.575 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -90.14 134.46 34.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 171.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.4 m -101.58 155.53 18.03 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.099 0.56 . . . . 0.0 112.201 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -130.5 142.06 50.49 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 169.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 40.6 m -70.84 137.25 49.28 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.036 0.446 . . . . 0.0 111.172 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -71.2 -44.08 66.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.862 1.265 . . . . 0.0 109.246 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -80.16 146.98 31.53 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.012 1.325 . . . . 0.0 109.172 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.6 p -138.66 160.57 39.29 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.749 0.82 . . . . 0.0 110.624 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.97 -24.19 57.01 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.335 1.054 . . . . 0.0 112.282 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.6 m -62.94 -51.31 67.39 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.614 0.643 . . . . 0.0 110.57 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -61.19 -47.07 87.83 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.1 m -60.32 -46.26 90.53 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 122.815 0.446 . . . . 0.0 111.068 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -60.46 -41.42 94.11 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.962 0.905 . . . . 0.0 110.847 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.3 -27.92 66.3 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.733 0.413 . . . . 0.0 111.862 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -98.44 9.29 43.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.006 1.323 . . . . 0.0 111.023 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 61.94 44.97 7.82 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.97 1.708 . . . . 0.0 111.992 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.4 mt -140.26 -177.06 4.85 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.503 2.321 . . . . 0.0 107.655 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.5 mm-40 -138.47 159.37 42.25 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.216 1.007 . . . . 0.0 109.327 173.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -75.35 131.06 39.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.778 0.431 . . . . 0.0 110.467 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -89.13 100.24 13.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 169.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.79 -13.15 13.38 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -169.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -79.13 -57.03 3.93 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.697 0.681 . . . . 0.0 109.713 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.4 p -91.48 -20.08 22.13 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.568 1.147 . . . . 0.0 111.496 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 58.8 m 56.49 50.86 12.19 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 126.759 2.024 . . . . 0.0 111.775 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -110.84 162.01 15.23 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.928 1.691 . . . . 0.0 107.558 168.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.4 m -89.31 127.14 35.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -139.76 157.64 45.41 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.287 1.435 . . . . 0.0 109.163 -175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -69.15 129.65 91.85 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.52 -51.45 1.0 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.476 2.117 . . . . 0.0 111.055 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.89 91.6 6.5 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.776 0.83 . . . . 0.0 110.236 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 C--O 1.251 1.134 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 169.189 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -59.81 137.33 58.09 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.102 0.961 . . . . 0.0 110.856 -175.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -66.08 -51.61 56.51 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.597 0.759 . . . . 0.0 110.955 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -84.15 58.78 4.94 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.909 0.884 . . . . 0.0 110.382 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -98.47 118.92 62.65 Favored Pre-proline 0 N--CA 1.453 -0.318 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.91 76.84 3.6 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 123.301 2.668 . . . . 0.0 110.265 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -81.75 176.97 9.17 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.063 1.345 . . . . 0.0 111.527 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.36 171.5 31.6 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.78 135.5 35.75 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.861 3.04 . . . . 0.0 110.848 -176.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.8 m -76.79 -44.49 32.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.496 0.718 . . . . 0.0 109.761 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.4 p -76.42 -179.94 5.48 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.141 0.976 . . . . 0.0 111.218 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -67.41 -82.45 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.14 1.376 . . . . 0.0 111.279 -171.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -151.14 -74.02 0.15 Allowed 'General case' 0 C--N 1.339 0.122 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -1.57 11.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.045 0.938 . . . . 0.0 113.117 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -76.1 59.02 1.28 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.092 1.757 . . . . 0.0 109.592 170.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -72.79 -15.5 61.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.597 1.559 . . . . 0.0 111.721 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -64.74 -13.83 56.42 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.715 1.206 . . . . 0.0 111.828 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -89.17 134.54 33.98 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 169.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.73 137.99 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 125.128 1.371 . . . . 0.0 108.424 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.13 148.35 25.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.167 1.387 . . . . 0.0 111.179 -169.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -102.17 118.17 59.67 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 125.116 1.367 . . . . 0.0 107.946 172.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.88 -10.01 19.7 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.23 2.62 . . . . 0.0 113.51 -172.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -89.38 -47.12 8.23 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.743 0.701 . . . . 0.0 110.248 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.9 p -99.63 -22.42 15.44 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.845 1.258 . . . . 0.0 111.967 -174.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m 77.31 3.64 3.18 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 126.071 1.748 . . . . 0.0 112.549 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -73.35 164.45 26.65 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.6 m -136.38 158.01 45.43 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.454 0.702 . . . . 0.0 110.081 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.8 p -140.4 147.83 40.33 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.406 1.082 . . . . 0.0 108.871 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.9 m -78.93 130.09 35.21 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.897 0.479 . . . . 0.0 111.164 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -61.22 -45.2 95.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.209 1.004 . . . . 0.0 109.541 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -77.22 115.07 16.69 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.562 1.145 . . . . 0.0 108.863 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -104.7 164.38 11.81 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.021 0.928 . . . . 0.0 111.115 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.03 -35.7 71.66 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.167 0.987 . . . . 0.0 110.523 169.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -62.73 -46.78 86.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.721 0.808 . . . . 0.0 110.669 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -60.68 -48.53 81.36 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.666 0.386 . . . . 0.0 110.36 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.9 m -59.94 -45.34 92.96 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.382 0.273 . . . . 0.0 110.911 176.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -61.57 -35.57 78.19 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.091 0.956 . . . . 0.0 111.484 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.73 -24.09 67.63 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.38 0.672 . . . . 0.0 111.893 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -99.55 8.49 44.42 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.907 1.283 . . . . 0.0 111.515 172.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 60.08 50.96 6.07 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.931 1.692 . . . . 0.0 110.929 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -138.93 173.46 11.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.289 1.836 . . . . 0.0 108.546 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -119.2 150.19 40.48 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 125.017 1.327 . . . . 0.0 109.035 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.3 tp -83.92 137.48 33.63 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.423 0.689 . . . . 0.0 109.952 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -89.38 112.32 23.4 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -63.04 -18.77 63.71 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -173.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -79.22 -51.65 9.2 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.468 0.576 . . . . 0.0 110.955 -174.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.5 t -107.43 -11.94 15.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.626 1.17 . . . . 0.0 112.662 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.0 m 54.78 57.17 5.91 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.517 1.527 . . . . 0.0 112.016 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -125.38 154.78 41.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.918 1.687 . . . . 0.0 107.161 169.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 84.3 m -88.87 142.73 27.41 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -140.22 159.58 41.88 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.455 1.502 . . . . 0.0 110.203 -173.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -69.59 138.94 88.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -45.02 -62.69 0.41 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 124.458 3.439 . . . . 0.0 112.891 175.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.85 77.97 0.06 Allowed 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 175.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 83.0 mmt-85 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 124.88 1.272 . . . . 0.0 109.489 -176.161 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -80.61 71.38 7.48 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.854 0.862 . . . . 0.0 109.76 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -82.05 49.6 1.42 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.222 1.009 . . . . 0.0 111.007 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.0 55.41 3.48 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.869 1.268 . . . . 0.0 110.315 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -98.94 111.13 59.98 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 124.937 1.295 . . . . 0.0 108.699 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -76.17 166.5 27.66 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.786 2.324 . . . . 0.0 110.472 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.1 m -64.58 143.18 58.1 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.662 0.385 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.79 171.49 34.58 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -60.67 128.47 25.87 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.778 2.985 . . . . 0.0 111.549 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.88 -44.03 17.38 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 169.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.6 t -76.41 -81.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.822 0.849 . . . . 0.0 110.59 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -145.67 -68.35 0.29 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.794 0.838 . . . . 0.0 110.432 -174.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ptt-85 -104.16 -42.31 5.56 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 124.599 1.16 . . . . 0.0 109.742 -172.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -171.16 120.17 0.51 Allowed 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 126.654 1.981 . . . . 0.0 105.657 170.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.73 134.55 24.77 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.378 1.071 . . . . 0.0 111.131 175.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -129.36 -54.08 1.18 Allowed 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.641 1.176 . . . . 0.0 109.735 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.3 mt -81.41 38.54 0.49 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.791 1.236 . . . . 0.0 110.865 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -150.16 147.68 28.03 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.109 1.364 . . . . 0.0 109.049 -171.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.76 137.73 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 168.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -125.7 133.92 51.98 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 124.277 1.031 . . . . 0.0 110.172 -170.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -70.69 124.83 91.61 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.51 -23.75 36.92 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.899 2.4 . . . . 0.0 113.475 -170.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -89.19 -47.27 8.18 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.159 0.584 . . . . 0.0 110.806 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.6 p -99.36 -14.82 19.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.106 0.962 . . . . 0.0 112.167 -173.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.3 m 65.69 20.09 11.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.232 1.413 . . . . 0.0 112.469 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -76.46 122.84 25.12 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.5 m -99.84 149.48 23.34 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.105 0.962 . . . . 0.0 111.345 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.6 p -140.15 146.81 39.28 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.421 1.488 . . . . 0.0 107.227 169.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.5 m -70.46 136.98 49.93 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 121.014 0.435 . . . . 0.0 111.73 -173.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -72.17 -45.76 59.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.61 1.164 . . . . 0.0 109.406 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -75.98 126.75 31.59 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.286 1.034 . . . . 0.0 108.613 173.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.0 p -106.29 163.47 12.8 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.062 0.945 . . . . 0.0 110.755 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -66.0 -31.56 72.53 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.986 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.7 t -61.81 -48.11 82.08 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.511 0.724 . . . . 0.0 110.358 173.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -51.33 -46.38 62.6 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.61 1.164 . . . . 0.0 110.441 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.12 -40.38 74.91 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.965 0.506 . . . . 0.0 112.309 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -62.79 -27.04 69.03 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.211 1.004 . . . . 0.0 111.643 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.26 57.08 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.924 0.889 . . . . 0.0 112.367 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.33 23.72 14.09 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.029 0.932 . . . . 0.0 111.579 176.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 57.68 48.86 13.32 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.432 1.493 . . . . 0.0 111.487 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.6 mt -127.99 177.4 6.9 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.849 1.659 . . . . 0.0 107.599 171.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -133.67 159.87 39.23 Favored 'General case' 0 C--O 1.228 -0.053 0 C-N-CA 123.334 0.653 . . . . 0.0 109.57 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 tp -72.17 142.04 49.07 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.38 1.072 . . . . 0.0 110.624 -175.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -88.81 112.54 23.35 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 171.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.31 -27.14 54.65 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.187 0.595 . . . . 0.0 112.503 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -79.43 -63.47 1.41 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.806 0.843 . . . . 0.0 111.099 -173.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -97.62 -21.44 17.05 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.731 0.812 . . . . 0.0 111.901 -172.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . 0.29 68.8 m 67.19 56.52 0.63 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.19 1.396 . . . . 0.0 111.865 -178.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -122.78 159.59 27.74 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 127.243 2.217 . . . . 0.0 106.866 168.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 79.7 m -89.11 136.26 33.11 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.36 165.1 28.32 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.364 1.466 . . . . 0.0 110.89 -172.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -68.89 119.47 69.71 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 168.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -37.81 112.66 0.12 Allowed 'Trans proline' 0 CA--C 1.537 0.671 1 C-N-CA 125.537 4.158 . . . . 0.0 116.304 -171.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.7 -46.98 0.1 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.404 1.082 . . . . 0.0 110.992 169.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 126.254 1.822 . . . . 0.0 108.061 175.573 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -68.01 -51.71 43.96 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.305 0.642 . . . . 0.0 109.349 175.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -72.23 170.25 14.45 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.493 0.717 . . . . 0.0 110.678 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -66.77 135.73 54.41 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 169.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -148.88 134.31 9.53 Favored Pre-proline 0 CA--C 1.532 0.286 0 C-N-CA 124.15 0.98 . . . . 0.0 108.493 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.0 -111.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.482 2.788 . . . . 0.0 109.313 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m -67.19 142.35 57.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.057 0.943 . . . . 0.0 110.88 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.9 -178.63 40.54 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.55 1.071 . . . . 0.0 110.755 175.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.61 126.98 10.58 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.461 2.774 . . . . 0.0 110.518 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.2 m -71.41 -52.49 18.28 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.866 0.866 . . . . 0.0 111.115 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.3 t -74.9 -73.81 0.23 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.821 0.448 . . . . 0.0 110.313 -173.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -144.59 -68.97 0.3 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.469 1.108 . . . . 0.0 108.474 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -141.73 -76.43 0.29 Allowed 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.515 1.126 . . . . 0.0 109.183 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 -82.78 58.42 4.29 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.149 0.98 . . . . 0.0 111.722 -170.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.86 126.51 30.8 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -144.28 -44.25 0.25 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.45 1.1 . . . . 0.0 110.726 -173.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.22 -11.08 37.21 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.15 0.98 . . . . 0.0 111.533 173.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -89.59 131.79 35.42 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.121 1.368 . . . . 0.0 108.678 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -99.95 133.01 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 169.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -119.83 138.98 53.05 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.304 1.042 . . . . 0.0 111.417 -169.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -72.08 119.37 74.17 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 123.957 0.903 . . . . 0.0 108.863 172.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -52.61 -33.8 60.33 Favored 'Trans proline' 0 CA--C 1.534 0.482 0 C-N-CA 123.79 2.993 . . . . 0.0 115.306 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -89.09 -46.37 8.88 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.432 0.693 . . . . 0.0 111.468 -169.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -99.05 -12.76 20.26 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.669 0.788 . . . . 0.0 111.954 -173.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.7 m 63.5 22.62 13.29 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.067 1.347 . . . . 0.0 111.759 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -76.45 116.95 17.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.876 0.87 . . . . 0.0 108.776 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.7 m -99.78 145.29 27.87 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.699 0.799 . . . . 0.0 111.691 -177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.6 t -140.83 145.73 36.64 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.26 1.424 . . . . 0.0 107.897 169.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.5 m -83.99 134.46 34.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 122.654 0.382 . . . . 0.0 111.294 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.73 -51.42 67.22 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 171.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -76.97 105.4 8.02 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.4 p -99.73 177.17 5.22 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.683 1.193 . . . . 0.0 110.943 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.8 -38.47 72.59 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.288 1.035 . . . . 0.0 110.846 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.7 p -67.53 -41.4 84.43 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.126 0.57 . . . . 0.0 111.339 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.23 -50.92 71.36 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.269 0.486 . . . . 0.0 110.375 175.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.2 m -64.68 -47.1 79.63 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.311 0.244 . . . . 0.0 111.421 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -62.33 -32.41 73.17 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.649 1.18 . . . . 0.0 112.09 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.09 -28.16 67.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.181 0.593 . . . . 0.0 111.849 173.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -102.29 12.74 36.18 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.769 1.228 . . . . 0.0 111.711 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 59.29 49.47 8.94 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.723 1.609 . . . . 0.0 111.011 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -133.92 170.04 16.21 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.936 1.694 . . . . 0.0 108.313 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -121.28 141.6 50.75 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.885 1.274 . . . . 0.0 109.484 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 tp -77.33 136.65 38.48 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.0 0.92 . . . . 0.0 110.646 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -89.31 113.66 24.96 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 169.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -53.72 -36.3 62.12 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.342 1.057 . . . . 0.0 113.266 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -78.9 -49.15 13.33 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.203 0.456 . . . . 0.0 111.819 -169.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.8 p -89.6 -24.2 21.75 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.359 0.664 . . . . 0.0 111.554 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.0 m 55.53 54.89 7.88 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.339 1.456 . . . . 0.0 110.256 -169.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -122.0 154.72 36.87 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.603 1.961 . . . . 0.0 107.422 169.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 65.9 m -89.31 142.13 27.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -140.02 159.04 43.07 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.519 1.528 . . . . 0.0 108.637 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -57.69 153.01 32.97 Favored Pre-proline 0 CA--C 1.538 0.495 0 C-N-CA 123.362 0.665 . . . . 0.0 110.955 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -54.09 82.21 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 125.119 3.88 . . . . 0.0 112.374 169.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -87.91 67.53 9.05 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.592 1.157 . . . . 0.0 109.492 -171.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.233 -1.365 . . . . 0.0 109.469 179.111 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 119.786 -0.149 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.84 -63.51 1.29 Allowed 'General case' 0 C--N 1.34 0.168 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -162.01 138.29 7.87 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.816 1.246 . . . . 0.0 108.033 171.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 56.38 46.07 21.6 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.799 0.84 . . . . 0.0 110.28 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -136.63 149.4 67.09 Favored Pre-proline 0 C--N 1.34 0.167 0 C-N-CA 125.423 1.489 . . . . 0.0 107.809 -176.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.99 148.13 50.49 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 122.463 2.109 . . . . 0.0 109.623 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.7 m -76.54 152.56 35.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.297 0.639 . . . . 0.0 110.717 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.08 -174.5 48.99 Favored Glycine 0 CA--C 1.533 1.193 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 174.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.26 141.54 97.97 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.679 2.919 . . . . 0.0 112.709 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.3 m -90.21 -60.87 1.81 Allowed 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.192 0.997 . . . . 0.0 109.664 174.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.5 p -70.81 -67.25 0.52 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.652 0.781 . . . . 0.0 110.527 -174.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.96 -58.85 0.22 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.69 0.796 . . . . 0.0 111.231 177.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -151.69 -64.81 0.18 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.621 1.168 . . . . 0.0 108.526 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -85.04 67.05 10.06 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.732 1.213 . . . . 0.0 110.531 -173.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.14 58.73 3.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.459 0.647 . . . . 0.0 110.422 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -72.29 -54.83 8.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.935 0.894 . . . . 0.0 110.95 -174.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -91.64 50.45 1.71 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.261 1.024 . . . . 0.0 109.75 -175.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -133.49 138.77 46.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.509 1.524 . . . . 0.0 107.735 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.5 m -99.98 115.0 40.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 169.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -105.8 132.4 51.96 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.25 1.42 . . . . 0.0 111.279 -169.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.54 132.54 68.79 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 123.864 0.866 . . . . 0.0 108.913 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -71.23 -42.17 2.14 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.034 2.489 . . . . 0.0 113.046 -173.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -89.54 -30.15 18.41 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -170.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.1 p -99.33 -23.51 15.14 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.518 0.727 . . . . 0.0 111.593 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.8 m 63.77 23.62 13.52 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.72 1.208 . . . . 0.0 112.3 -174.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -87.37 132.76 33.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 171.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.1 m -110.48 154.68 23.3 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.258 0.623 . . . . 0.0 111.105 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -140.51 142.27 35.26 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.924 -1.509 . . . . 0.0 106.924 168.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.9 m -85.08 135.8 33.83 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.406 0.282 . . . . 0.0 111.513 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -61.56 -45.25 94.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 169.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -80.86 105.71 12.31 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.147 0.979 . . . . 0.0 108.479 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -99.42 174.12 6.43 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.287 1.035 . . . . 0.0 110.406 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -67.08 -32.99 74.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.024 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.0 p -65.36 -44.21 88.37 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.311 0.645 . . . . 0.0 110.819 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -56.01 -44.4 78.62 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.158 0.583 . . . . 0.0 110.354 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.7 m -68.02 -37.28 81.21 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.904 0.482 . . . . 0.0 111.82 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -37.63 80.47 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.477 0.711 . . . . 0.0 111.04 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.86 -25.9 61.36 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.939 0.896 . . . . 0.0 112.409 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -99.41 2.23 44.97 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.437 1.095 . . . . 0.0 110.947 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 61.17 52.01 4.13 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.8 1.64 . . . . 0.0 109.836 -173.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -138.4 173.69 11.34 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.932 2.093 . . . . 0.0 107.94 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -131.0 150.21 52.25 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.618 1.167 . . . . 0.0 109.841 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -80.76 136.37 36.13 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.697 0.799 . . . . 0.0 111.144 -173.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -90.42 112.04 23.51 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 169.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -66.65 -9.31 34.5 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -80.39 -56.11 4.42 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.951 0.796 . . . . 0.0 110.297 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.4 p -99.87 -22.04 15.47 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.862 1.265 . . . . 0.0 112.369 -175.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.3 m 61.06 56.91 2.65 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.925 1.69 . . . . 0.0 110.96 -168.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -115.43 154.36 29.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.586 1.554 . . . . 0.0 108.492 168.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.7 m -89.5 131.45 35.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.86 -171.95 3.2 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.847 1.659 . . . . 0.0 109.116 -173.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -41.06 132.22 1.92 Allowed Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 125.728 1.611 . . . . 0.0 111.492 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -71.73 74.1 2.29 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.864 3.043 . . . . 0.0 109.91 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? 178.96 -41.77 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 126.501 1.92 . . . . 0.0 107.783 -174.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 C--O 1.25 1.105 0 C-N-CA 125.579 1.551 . . . . 0.0 108.577 178.935 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -62.5 -54.73 35.65 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.501 0.72 . . . . 0.0 109.503 174.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -144.56 158.85 43.58 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.347 1.459 . . . . 0.0 108.339 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -70.4 -36.81 74.28 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 122.808 0.443 . . . . 0.0 110.046 169.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -117.53 85.01 19.97 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 126.526 1.93 . . . . 0.0 108.44 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -82.44 58.8 6.67 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.664 2.909 . . . . 0.0 109.359 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.1 m -149.32 169.22 21.31 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.791 1.236 . . . . 0.0 109.633 -173.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.16 -175.4 37.7 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 173.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.87 151.02 24.13 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 123.697 2.932 . . . . 0.0 110.208 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.1 m -75.04 -37.7 61.64 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 170.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 m -73.75 -178.23 3.09 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.568 1.547 . . . . 0.0 112.408 -173.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -58.45 -43.02 88.67 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.366 1.067 . . . . 0.0 111.483 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -141.53 -134.17 0.1 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -62.71 111.31 2.04 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.175 0.59 . . . . 0.0 109.692 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 62.0 0.59 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.052 1.741 . . . . 0.0 112.458 -176.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -60.61 -51.49 69.18 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.381 1.072 . . . . 0.0 111.416 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -86.19 33.6 0.62 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.114 0.966 . . . . 0.0 111.465 -174.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -143.88 144.89 31.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 125.149 1.38 . . . . 0.0 109.161 -175.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 m -105.59 113.7 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.901 1.28 . . . . 0.0 107.59 169.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -99.81 124.74 45.4 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.606 1.162 . . . . 0.0 109.561 -178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.19 127.83 93.6 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.84 -30.66 33.2 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 122.602 2.201 . . . . 0.0 113.042 -172.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -89.1 -41.89 12.03 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.37 0.532 . . . . 0.0 111.41 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -98.93 -19.01 17.56 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.353 0.661 . . . . 0.0 111.473 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.5 m 63.27 26.31 15.07 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.778 1.231 . . . . 0.0 112.218 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -90.54 138.1 31.83 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.24 1.416 . . . . 0.0 107.901 171.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.6 m -108.78 151.52 26.11 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.454 0.701 . . . . 0.0 111.291 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 m -136.53 139.69 42.42 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 169.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.7 m -75.25 139.96 42.9 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.468 0.307 . . . . 0.0 111.496 -174.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.08 -48.57 65.17 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 171.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -75.43 145.17 41.74 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.568 1.947 . . . . 0.0 109.326 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -129.33 162.19 28.55 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.764 0.826 . . . . 0.0 111.505 -173.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.69 -40.91 93.96 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.536 1.134 . . . . 0.0 110.837 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 p -62.33 -47.39 84.45 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.757 0.823 . . . . 0.0 110.712 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 -49.07 -50.24 37.71 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.855 1.262 . . . . 0.0 110.99 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.2 m -70.42 -46.62 63.57 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.518 0.327 . . . . 0.0 111.504 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -56.57 -37.3 70.39 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.583 1.153 . . . . 0.0 111.756 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.31 -37.23 62.06 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.689 0.796 . . . . 0.0 112.107 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -99.82 15.25 27.56 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.118 0.967 . . . . 0.0 111.71 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 58.47 50.86 8.73 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.312 1.445 . . . . 0.0 110.437 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.6 mt -131.3 173.55 10.95 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.802 2.041 . . . . 0.0 107.621 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -131.48 145.84 51.96 Favored 'General case' 0 C--N 1.338 0.099 0 C-N-CA 124.068 0.947 . . . . 0.0 109.846 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.7 tp -74.94 125.52 29.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.947 0.899 . . . . 0.0 109.59 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -89.18 103.06 15.71 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 174.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -49.9 -27.3 5.04 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.746 1.618 . . . . 0.0 114.549 -172.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -78.06 -44.29 26.77 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.152 0.581 . . . . 0.0 110.753 -170.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.5 p -105.78 -14.14 15.33 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.051 1.34 . . . . 0.0 112.002 -177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . 0.251 9.8 m 47.04 53.6 10.38 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 126.296 1.838 . . . . 0.0 111.964 -169.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -107.59 158.44 17.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.993 1.717 . . . . 0.0 107.191 168.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 73.2 m -89.43 122.13 32.33 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -125.01 -176.96 3.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.151 1.78 . . . . 0.0 108.612 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -49.16 147.53 5.01 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 124.174 0.989 . . . . 0.0 112.017 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.96 77.8 1.47 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.555 2.837 . . . . 0.0 109.724 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 179.62 -46.49 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.536 1.534 . . . . 0.0 108.675 -174.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.14 -1.409 . . . . 0.0 109.549 177.765 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.742 ' O ' ' CB ' ' A' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 111.337 0.125 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.742 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 57.7 ttt85 137.76 -62.26 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 56.52 73.41 0.45 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.068 1.347 . . . . 0.0 110.851 175.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -67.35 159.15 29.95 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.256 0.622 . . . . 0.0 111.004 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -134.76 87.54 30.48 Favored Pre-proline 0 CA--C 1.532 0.274 0 C-N-CA 124.58 1.152 . . . . 0.0 108.031 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.91 114.35 1.68 Allowed 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 124.216 3.277 . . . . 0.0 112.022 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.0 m -144.99 154.92 43.06 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.684 1.194 . . . . 0.0 109.464 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.13 173.68 48.7 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -75.89 141.93 24.7 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.881 3.054 . . . . 0.0 109.956 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.0 m -68.89 -54.52 15.11 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.08 0.552 . . . . 0.0 110.013 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.8 p -88.83 -148.9 0.17 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.535 0.734 . . . . 0.0 109.023 171.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -71.07 -78.74 0.07 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.457 0.571 . . . . 0.0 111.528 -172.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -150.89 -47.29 0.12 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.071 0.548 . . . . 0.0 111.885 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -80.53 59.51 3.56 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.707 0.803 . . . . 0.0 109.579 176.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -87.16 37.26 0.76 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.081 0.952 . . . . 0.0 111.957 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -65.18 -32.47 74.17 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.721 0.809 . . . . 0.0 111.814 -173.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.42 -22.11 62.76 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.41 1.084 . . . . 0.0 111.387 176.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -89.92 143.27 26.94 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.482 0.713 . . . . 0.0 109.672 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.45 125.73 73.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 169.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -99.88 132.29 45.33 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.696 1.198 . . . . 0.0 110.417 -170.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.86 122.99 84.86 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-O 118.54 -0.743 . . . . 0.0 109.768 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.03 -37.66 57.62 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.896 3.064 . . . . 0.0 115.04 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -89.78 -48.78 7.03 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.701 0.8 . . . . 0.0 111.559 -169.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.6 p -99.09 -18.12 17.88 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.676 0.791 . . . . 0.0 112.04 -170.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.2 m 61.67 23.95 14.16 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.955 1.302 . . . . 0.0 112.79 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -90.06 135.51 33.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 169.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.11 157.76 16.78 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.23 0.538 . . . . 0.0 112.412 -175.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -137.88 144.31 41.29 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.663 1.585 . . . . 0.0 106.736 169.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.4 m -85.18 135.05 34.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 122.35 0.26 . . . . 0.0 111.426 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -63.66 -38.62 91.82 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.179 173.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -85.35 107.6 17.43 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.761 1.224 . . . . 0.0 108.254 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -99.93 166.41 11.07 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.78 0.832 . . . . 0.0 111.383 -174.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.02 -44.21 82.65 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.176 0.991 . . . . 0.0 110.01 171.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.8 m -58.56 -45.38 89.12 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.563 0.745 . . . . 0.0 110.839 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -62.74 -42.72 99.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.36 0.664 . . . . 0.0 110.972 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.9 m -62.81 -47.98 81.08 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.812 175.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -62.96 -33.17 74.8 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.154 0.982 . . . . 0.0 112.39 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.74 -26.13 66.98 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.937 0.495 . . . . 0.0 111.506 172.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -103.54 14.05 32.09 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.468 1.507 . . . . 0.0 111.383 174.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 59.83 49.67 7.72 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.41 1.884 . . . . 0.0 111.7 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.8 mt -140.1 176.72 8.52 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.925 1.69 . . . . 0.0 108.702 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -127.24 149.3 50.06 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 124.887 1.275 . . . . 0.0 109.018 176.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -85.97 137.02 33.03 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.569 0.748 . . . . 0.0 111.012 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -89.54 109.98 20.87 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 168.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -88.2 49.14 1.74 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.355 0.525 . . . . 0.0 110.529 -174.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -125.55 -51.81 1.6 Allowed 'General case' 0 C--N 1.339 0.121 0 C-N-CA 125.348 1.459 . . . . 0.0 107.672 171.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 t -110.04 -10.44 14.7 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.396 1.079 . . . . 0.0 112.231 176.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 56.3 m 59.21 55.71 4.2 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 125.051 1.34 . . . . 0.0 112.38 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -118.79 155.19 31.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.472 1.509 . . . . 0.0 107.522 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.9 m -88.99 145.52 25.45 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -140.24 163.69 32.07 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.773 1.629 . . . . 0.0 109.684 -175.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 143.8 91.48 Favored Pre-proline 0 CA--C 1.536 0.43 0 C-N-CA 123.382 0.673 . . . . 0.0 109.704 -178.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -78.68 66.4 8.6 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.774 2.983 . . . . 0.0 111.089 -174.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.5 84.81 7.39 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 175.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 116.908 -1.52 . . . . 0.0 110.38 179.074 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.683 0 CA-C-O 119.101 -0.475 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.24 -172.97 4.1 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.008 0.923 . . . . 0.0 110.08 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -60.32 -56.85 16.46 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.846 1.258 . . . . 0.0 110.328 176.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -80.12 62.36 4.27 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.518 1.127 . . . . 0.0 110.852 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -150.24 132.78 8.16 Favored Pre-proline 0 CA--C 1.533 0.316 0 C-N-CA 124.336 1.055 . . . . 0.0 109.121 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.04 100.5 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.937 2.425 . . . . 0.0 108.712 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.7 m -68.17 135.17 51.67 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 122.843 0.457 . . . . 0.0 111.136 -172.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.82 -175.37 39.74 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.637 1.113 . . . . 0.0 110.593 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.81 155.46 39.23 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.908 3.072 . . . . 0.0 110.477 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.2 m -67.31 -54.6 19.28 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.461 0.704 . . . . 0.0 110.389 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 t -88.2 -153.48 0.24 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.198 0.999 . . . . 0.0 108.802 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -60.93 -59.18 5.78 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.843 0.857 . . . . 0.0 109.938 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -150.87 -61.63 0.19 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.996 0.918 . . . . 0.0 109.155 173.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -84.53 67.16 9.84 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.316 1.047 . . . . 0.0 110.41 -174.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -61.97 2.15 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.979 0.912 . . . . 0.0 111.233 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m170 70.09 -66.28 0.28 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.51 1.924 . . . . 0.0 112.425 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.4 mt -85.09 42.76 0.96 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.809 1.244 . . . . 0.0 111.312 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -141.35 155.76 45.9 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.727 1.211 . . . . 0.0 109.924 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 m -116.16 143.69 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 125.529 1.532 . . . . 0.0 107.034 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -125.39 143.24 51.07 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.674 1.19 . . . . 0.0 109.421 -176.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -103.15 112.71 65.93 Favored Pre-proline 0 N--CA 1.452 -0.341 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.12 -11.18 29.89 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.242 1.961 . . . . 0.0 112.662 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -89.46 -14.08 36.13 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.988 0.915 . . . . 0.0 112.32 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.3 p -132.12 -22.53 2.27 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.263 1.025 . . . . 0.0 111.917 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.5 m 75.1 8.21 4.07 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 127.031 2.132 . . . . 0.0 112.438 -172.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -84.28 156.44 21.95 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.0 m -132.92 165.01 25.66 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.998 0.919 . . . . 0.0 111.218 -175.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.6 t -140.25 153.97 46.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.514 1.525 . . . . 0.0 106.916 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.3 m -74.85 142.22 44.17 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -63.9 -48.57 76.1 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 173.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -77.25 110.76 12.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.175 0.99 . . . . 0.0 108.666 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.3 p -99.92 160.96 13.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.072 0.949 . . . . 0.0 110.091 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.68 -26.61 68.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.172 0.589 . . . . 0.0 111.596 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.6 t -59.23 -47.46 85.24 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.584 0.753 . . . . 0.0 110.981 174.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -58.87 -49.23 78.53 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.1 m -56.38 -46.82 79.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 119.465 -0.303 . . . . 0.0 110.668 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.63 -41.4 97.45 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.098 0.959 . . . . 0.0 111.489 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.68 -25.27 66.25 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.97 0.508 . . . . 0.0 111.902 173.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -99.18 7.16 46.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.19 1.396 . . . . 0.0 111.175 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.81 49.8 5.85 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.905 1.682 . . . . 0.0 110.732 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.3 mt -140.39 176.81 8.47 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.718 2.407 . . . . 0.0 108.131 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -129.25 154.99 46.27 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.673 1.189 . . . . 0.0 108.893 170.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.0 tp -82.88 137.48 34.24 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.864 0.866 . . . . 0.0 110.9 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -89.62 111.3 22.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -57.29 -25.12 58.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.748 1.219 . . . . 0.0 113.444 -173.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -79.13 -57.97 3.47 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.1 0.56 . . . . 0.0 110.594 -170.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.6 t -93.47 -20.49 20.24 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.966 0.906 . . . . 0.0 111.574 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.3 m 59.78 57.32 3.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.202 1.401 . . . . 0.0 110.97 -173.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -120.52 151.45 39.36 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.655 1.982 . . . . 0.0 106.327 169.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.9 m -88.83 119.3 29.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.22 -177.64 3.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.306 1.842 . . . . 0.0 109.516 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 148.02 2.25 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 124.3 1.04 . . . . 0.0 112.481 -178.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.84 102.94 1.1 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.01 2.473 . . . . 0.0 109.814 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.81 -80.94 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.097 1.359 . . . . 0.0 109.197 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.224 0 CA-C-O 117.248 -1.358 . . . . 0.0 109.178 174.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -130.9 -64.01 0.84 Allowed 'General case' 0 C--N 1.338 0.077 0 C-N-CA 124.896 1.279 . . . . 0.0 108.164 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -62.09 143.93 55.98 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.259 0.624 . . . . 0.0 110.645 174.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.77 104.85 4.82 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.504 0.721 . . . . 0.0 109.384 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -121.81 94.78 48.17 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 124.902 1.281 . . . . 0.0 108.51 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.6 -17.93 14.17 Favored 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 124.049 3.166 . . . . 0.0 115.989 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 70.0 m -122.47 148.94 44.54 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.574 1.55 . . . . 0.0 109.977 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.23 163.27 37.45 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 171.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -49.78 138.79 33.14 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 124.253 3.302 . . . . 0.0 113.345 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.1 m -64.03 -79.95 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.613 0.765 . . . . 0.0 109.633 173.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -90.57 171.47 9.38 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.512 0.725 . . . . 0.0 110.144 173.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' CD ' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.18 -75.57 0.1 Allowed 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -169.507 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 70.7 ttt180 -151.95 -72.96 0.15 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.717 1.207 . . . . 0.0 108.732 -170.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -58.47 -30.03 66.65 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.583 1.953 . . . . 0.0 111.129 -174.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -72.44 68.08 0.77 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.011 1.725 . . . . 0.0 109.039 169.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -76.81 -19.89 57.03 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.365 1.466 . . . . 0.0 111.913 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -82.89 46.99 1.15 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.718 1.207 . . . . 0.0 110.885 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -136.34 146.46 46.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.009 1.723 . . . . 0.0 108.719 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.5 m -126.57 153.68 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.974 1.709 . . . . 0.0 107.718 171.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -140.22 140.38 35.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.649 0.78 . . . . 0.0 110.782 -169.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.71 119.42 75.34 Favored Pre-proline 0 CA--C 1.535 0.373 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 169.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.41 -20.04 28.01 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.008 2.472 . . . . 0.0 113.126 -172.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -91.37 -52.23 4.9 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.872 0.869 . . . . 0.0 110.887 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.5 p -99.21 -7.29 26.71 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.898 0.879 . . . . 0.0 112.537 -170.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m 69.41 18.59 7.86 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.145 1.378 . . . . 0.0 112.536 173.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.2 121.61 18.69 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.4 m -99.9 132.85 45.0 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.5 1.12 . . . . 0.0 109.502 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.4 m -141.23 143.47 34.17 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.406 0.682 . . . . 0.0 110.015 172.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -83.79 136.73 34.04 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.967 0.507 . . . . 0.0 110.255 169.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.84 -47.8 79.33 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.558 0.743 . . . . 0.0 109.228 173.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -74.6 107.02 6.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.5 p -99.9 167.17 10.69 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.117 0.967 . . . . 0.0 110.437 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.85 -33.62 76.43 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 122.922 0.489 . . . . 0.0 111.096 175.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 p -61.89 -41.55 98.03 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.456 0.702 . . . . 0.0 110.791 170.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.99 37.45 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 174.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.16 -40.99 91.86 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.681 0.792 . . . . 0.0 112.019 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -63.07 -24.63 67.99 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.959 0.904 . . . . 0.0 111.807 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.01 -29.48 67.28 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.515 0.598 . . . . 0.0 111.707 171.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -99.81 8.86 43.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.009 1.323 . . . . 0.0 111.323 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 55.78 45.53 24.16 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.33 1.452 . . . . 0.0 111.129 -171.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.5 mt -121.95 171.11 9.17 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.826 1.651 . . . . 0.0 108.564 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -128.31 145.69 50.99 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.377 1.071 . . . . 0.0 109.458 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 tp -79.71 136.4 36.77 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.984 0.914 . . . . 0.0 110.935 -174.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -89.46 109.97 20.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -50.17 -34.78 23.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.089 1.356 . . . . 0.0 113.743 -173.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -78.82 -51.38 9.81 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.142 0.428 . . . . 0.0 111.2 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 p -89.11 -23.07 22.58 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.225 0.61 . . . . 0.0 111.079 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.9 m 55.29 55.09 7.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.905 1.682 . . . . 0.0 110.733 -170.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -116.03 153.64 31.31 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.497 1.919 . . . . 0.0 107.478 170.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.8 m -89.51 134.92 33.88 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -140.05 169.38 17.8 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.801 1.24 . . . . 0.0 110.02 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -54.81 132.54 66.1 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 124.571 1.148 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -50.9 -49.62 16.39 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 124.059 3.172 . . . . 0.0 112.313 172.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.29 -30.21 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.788 1.235 . . . . 0.0 111.976 -179.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 . . . . . 0 C--O 1.25 1.087 0 C-N-CA 125.876 1.67 . . . . 0.0 107.712 178.792 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -157.79 155.36 29.65 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.39 0.676 . . . . 0.0 109.539 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -80.1 73.92 6.9 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.986 0.915 . . . . 0.0 109.768 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -82.81 55.9 3.21 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.921 0.888 . . . . 0.0 110.305 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -150.76 140.68 14.04 Favored Pre-proline 0 CA--C 1.532 0.266 0 C-N-CA 125.249 1.42 . . . . 0.0 107.685 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -75.9 -117.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.183 2.589 . . . . 0.0 108.483 172.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.0 m -75.66 143.15 42.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 121.655 -0.653 . . . . 0.0 109.961 174.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.09 143.12 19.45 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 171.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.62 137.28 27.31 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 122.915 2.41 . . . . 0.0 110.146 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.9 m -68.34 -48.81 63.87 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.798 0.439 . . . . 0.0 110.062 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.2 p -82.38 175.81 9.94 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.286 1.035 . . . . 0.0 111.465 -177.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -90.03 -95.04 0.11 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.228 1.011 . . . . 0.0 111.229 -169.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 -150.16 -56.88 0.18 Allowed 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.527 1.131 . . . . 0.0 109.044 -174.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 66.5 mtp85 -55.27 -41.28 72.04 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 169.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -81.37 56.35 2.88 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.065 1.346 . . . . 0.0 109.45 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -84.61 9.72 12.99 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.461 0.704 . . . . 0.0 110.645 169.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -85.07 44.72 1.1 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.958 1.703 . . . . 0.0 108.917 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -147.38 156.47 42.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.969 1.708 . . . . 0.0 108.565 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.7 m -134.98 157.63 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.518 1.527 . . . . 0.0 108.078 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -140.1 139.02 35.75 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.878 0.871 . . . . 0.0 110.08 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -71.67 120.5 80.34 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 123.836 0.854 . . . . 0.0 109.743 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.21 -32.81 51.96 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.141 3.227 . . . . 0.0 115.584 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -89.55 -50.0 6.34 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.117 0.567 . . . . 0.0 111.307 -170.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.5 p -99.15 -13.81 19.62 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.002 0.921 . . . . 0.0 112.336 -170.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m 65.26 26.76 12.2 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.65 1.18 . . . . 0.0 111.582 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -79.01 120.11 23.12 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.3 m -98.68 141.88 30.94 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.578 0.751 . . . . 0.0 110.443 -177.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.3 m -140.31 146.51 38.61 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.87 1.268 . . . . 0.0 108.32 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.5 m -69.2 141.91 54.39 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.751 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.35 -44.27 59.1 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.309 1.043 . . . . 0.0 109.573 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -82.39 128.53 34.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.751 1.62 . . . . 0.0 109.35 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.4 p -113.0 158.46 20.25 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.745 1.218 . . . . 0.0 110.489 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.72 -28.82 69.69 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 123.771 0.828 . . . . 0.0 112.225 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 p -57.82 -47.22 83.26 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.659 0.783 . . . . 0.0 111.439 174.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -59.68 -48.85 80.02 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 122.856 0.462 . . . . 0.0 110.079 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.0 m -59.01 -47.5 85.0 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.983 0.513 . . . . 0.0 110.903 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -60.26 -33.71 72.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.239 1.416 . . . . 0.0 111.715 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.76 69.31 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 174.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -99.73 12.74 35.85 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.301 1.04 . . . . 0.0 110.955 174.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 59.29 46.38 12.83 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.356 1.462 . . . . 0.0 110.929 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.5 mt -129.03 176.38 7.93 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.631 1.972 . . . . 0.0 107.868 174.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -132.66 151.81 51.86 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.419 1.087 . . . . 0.0 109.397 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -72.86 134.1 44.7 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.9 0.88 . . . . 0.0 110.32 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -89.77 117.52 28.68 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 169.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -68.03 -16.5 64.06 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -171.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -79.52 -58.44 3.2 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.721 0.691 . . . . 0.0 110.422 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 t -102.95 -10.5 18.94 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.835 0.854 . . . . 0.0 112.44 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.8 m 57.74 55.72 5.3 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.636 1.175 . . . . 0.0 111.813 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -122.26 159.28 27.68 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.337 1.855 . . . . 0.0 106.961 170.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.5 m -89.26 133.97 34.24 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -177.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -140.0 155.85 46.9 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 125.043 1.337 . . . . 0.0 109.297 -175.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -65.9 141.16 97.49 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 122.498 0.319 . . . . 0.0 110.189 -177.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -68.6 -35.73 16.36 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 123.438 2.759 . . . . 0.0 111.192 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -150.8 152.45 33.81 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.751 1.621 . . . . 0.0 107.627 176.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.79 2.036 . . . . 0.0 108.704 174.317 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -67.12 97.16 0.5 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.199 1.0 . . . . 0.0 108.834 177.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 57.71 73.4 0.47 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.963 1.305 . . . . 0.0 109.376 -169.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -56.91 113.86 1.85 Allowed 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.697 0.799 . . . . 0.0 109.514 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -139.74 92.85 9.85 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.724 1.21 . . . . 0.0 108.913 -174.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -59.11 -15.86 30.35 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.794 2.996 . . . . 0.0 115.96 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.6 m -95.56 176.79 6.04 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.654 1.182 . . . . 0.0 110.516 -176.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.15 175.97 23.67 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 172.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -68.38 152.99 75.06 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.281 2.654 . . . . 0.0 109.956 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.3 m -65.06 -56.84 10.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.517 0.727 . . . . 0.0 110.027 -174.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.0 m -89.36 64.88 6.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.02 0.528 . . . . 0.0 109.872 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -76.42 76.78 3.16 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.225 0.61 . . . . 0.0 109.456 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -144.51 -147.26 0.21 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.102 1.761 . . . . 0.0 106.511 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -55.9 -24.88 40.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.964 0.906 . . . . 0.0 110.296 168.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -74.78 52.29 0.52 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.79 2.436 . . . . 0.0 111.468 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -66.88 -10.81 52.49 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.45 1.1 . . . . 0.0 111.11 169.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -55.33 -24.17 27.57 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.06 1.744 . . . . 0.0 110.996 170.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -88.72 133.75 34.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 175.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -126.13 168.08 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.727 1.611 . . . . 0.0 108.916 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -128.13 137.16 51.99 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.507 1.123 . . . . 0.0 110.36 -169.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.39 121.03 84.12 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 169.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.03 -23.12 46.86 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.38 2.72 . . . . 0.0 113.35 -170.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -89.5 -47.01 8.27 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.541 0.736 . . . . 0.0 111.094 -175.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.3 p -99.21 -17.58 18.06 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.642 0.777 . . . . 0.0 112.301 -170.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.0 m 63.58 29.75 15.14 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.661 1.184 . . . . 0.0 111.847 -174.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -82.47 133.72 35.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 173.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.3 m -99.03 132.63 44.19 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.493 0.717 . . . . 0.0 109.544 -176.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.8 p -141.38 142.13 33.76 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.14 0.976 . . . . 0.0 110.287 176.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 97.2 m -73.73 133.56 43.34 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.892 0.477 . . . . 0.0 111.196 170.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -66.02 -43.5 87.47 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.076 0.951 . . . . 0.0 109.573 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -76.22 136.01 39.7 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.692 1.197 . . . . 0.0 109.365 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.3 p -122.9 159.28 28.55 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.656 1.182 . . . . 0.0 110.461 -175.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -63.44 -30.81 71.88 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.942 172.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.6 m -59.83 -50.15 74.92 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.669 0.788 . . . . 0.0 110.68 173.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -57.74 -47.68 81.78 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.885 0.874 . . . . 0.0 110.518 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.1 m -62.16 -45.94 91.19 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.791 0.437 . . . . 0.0 111.353 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.73 -39.04 92.84 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 124.747 1.219 . . . . 0.0 111.58 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.51 -34.01 64.25 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.783 0.433 . . . . 0.0 111.211 172.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -99.23 17.73 19.28 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.143 1.377 . . . . 0.0 111.018 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 61.04 43.98 10.77 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.069 1.748 . . . . 0.0 112.566 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.0 mt -139.42 179.36 6.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.345 1.858 . . . . 0.0 108.226 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -134.31 149.79 50.92 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.787 0.835 . . . . 0.0 109.583 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.8 tp -76.11 126.06 30.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.504 0.721 . . . . 0.0 110.187 -177.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -89.32 98.54 11.82 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 168.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.48 -14.46 19.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.294 1.037 . . . . 0.0 113.418 -169.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -78.28 -46.02 21.3 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.315 -0.865 . . . . 0.0 109.449 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.3 p -90.01 -23.48 21.48 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.676 1.191 . . . . 0.0 111.507 177.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.6 m 52.43 47.61 24.36 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.975 2.11 . . . . 0.0 111.162 -168.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -121.0 157.77 29.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.026 1.73 . . . . 0.0 107.611 171.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.12 126.26 35.38 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -129.92 173.99 10.17 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.355 1.462 . . . . 0.0 109.379 -177.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 143.28 24.87 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 123.906 0.882 . . . . 0.0 111.668 -176.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.04 -59.87 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.629 2.219 . . . . 0.0 111.132 -173.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -109.48 -70.3 0.82 Allowed 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 173.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.704 1.602 . . . . 0.0 108.486 176.255 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.802 ' O ' ' HB3' ' A' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.802 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 24.4 ttt85 110.98 139.43 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -175.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 52.89 47.27 25.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.308 1.443 . . . . 0.0 111.686 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -89.37 63.3 6.38 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.466 1.106 . . . . 0.0 108.283 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -150.53 163.81 22.74 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 125.052 1.341 . . . . 0.0 108.357 -177.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -52.77 -27.95 36.24 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.465 2.777 . . . . 0.0 116.606 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m -109.32 -167.96 1.27 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.227 1.411 . . . . 0.0 110.839 -171.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -123.12 177.13 16.62 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.534 1.54 . . . . 0.0 111.066 -176.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.7 144.18 58.88 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 124.199 3.266 . . . . 0.0 111.435 -171.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.9 m -61.39 -58.46 8.14 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.605 0.762 . . . . 0.0 110.214 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.1 m -74.2 158.38 34.23 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.814 0.446 . . . . 0.0 110.21 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.91 -42.51 3.08 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.677 1.191 . . . . 0.0 111.766 -174.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -65.71 0.96 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.284 1.034 . . . . 0.0 108.864 176.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -86.04 57.58 4.56 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.478 0.711 . . . . 0.0 110.126 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -90.8 -143.18 0.17 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.659 1.584 . . . . 0.0 109.331 172.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.1 m80 79.56 -51.67 0.41 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 126.189 1.796 . . . . 0.0 111.946 172.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.32 -11.12 38.65 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.307 1.443 . . . . 0.0 112.962 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.33 141.52 28.47 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.827 0.74 . . . . 0.0 112.144 -172.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.7 123.75 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 168.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -114.02 142.89 45.6 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.625 0.77 . . . . 0.0 111.698 -167.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.46 129.42 92.54 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 123.926 0.89 . . . . 0.0 110.207 -174.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -68.7 -11.27 31.44 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.953 3.102 . . . . 0.0 114.358 -172.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -117.5 -51.55 2.5 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 124.143 0.977 . . . . 0.0 111.268 -177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.8 p -99.21 -1.89 38.08 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -169.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.4 m 63.99 13.84 7.99 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.871 1.268 . . . . 0.0 113.954 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -72.89 135.87 45.18 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.652 0.66 . . . . 0.0 109.497 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.8 m -98.67 134.02 42.18 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.082 0.953 . . . . 0.0 109.436 -169.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 p -140.77 136.92 32.99 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.757 1.223 . . . . 0.0 109.096 175.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.7 m -88.26 144.74 26.25 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 122.871 0.468 . . . . 0.0 111.798 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -58.86 -46.2 88.32 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.576 1.15 . . . . 0.0 109.81 173.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -75.77 107.51 7.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.1 p -101.05 164.12 11.96 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.998 0.919 . . . . 0.0 111.564 -174.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.78 -34.85 65.64 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.435 1.094 . . . . 0.0 110.895 169.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.3 m -62.03 -47.49 84.51 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.95 0.9 . . . . 0.0 111.29 177.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -63.38 -45.08 92.75 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 122.916 0.486 . . . . 0.0 110.64 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.5 m -58.46 -45.74 88.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.3 0.24 . . . . 0.0 110.58 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.98 -41.65 92.47 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.584 1.154 . . . . 0.0 111.534 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.22 64.46 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.207 0.603 . . . . 0.0 111.792 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -99.1 13.78 31.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.981 1.313 . . . . 0.0 111.308 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 55.69 50.88 13.43 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 125.988 1.715 . . . . 0.0 112.31 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -140.28 176.4 8.8 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 127.291 2.236 . . . . 0.0 107.075 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -137.56 152.34 49.33 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 170.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 tp -81.32 139.4 35.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.197 0.999 . . . . 0.0 111.26 -170.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -89.37 115.62 26.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 167.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -64.18 -20.63 66.14 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -169.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.71 -58.71 3.05 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.538 0.735 . . . . 0.0 110.955 -172.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 t -98.2 -10.77 23.55 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.483 0.713 . . . . 0.0 111.842 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.5 m 59.01 51.54 7.1 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.036 1.334 . . . . 0.0 112.032 177.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -111.91 149.85 31.3 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 75.7 m -89.0 127.1 35.66 Favored 'General case' 0 C--N 1.338 0.08 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -137.05 -170.09 2.63 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.994 1.317 . . . . 0.0 109.972 -174.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -42.81 132.53 3.01 Favored Pre-proline 0 CA--C 1.539 0.527 0 C-N-CA 125.141 1.376 . . . . 0.0 112.307 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -46.56 117.85 2.27 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 124.176 3.25 . . . . 0.0 112.886 173.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -83.99 61.16 6.27 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 174.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 . . . . . 0 C--O 1.25 1.082 0 C-N-CA 125.028 1.331 . . . . 0.0 108.988 -170.571 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 60.15 -96.4 0.06 Allowed 'General case' 0 C--N 1.34 0.162 0 C-N-CA 125.556 1.542 . . . . 0.0 110.872 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -78.88 72.37 5.39 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.106 0.962 . . . . 0.0 109.111 178.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 61.94 -96.87 0.06 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.123 1.369 . . . . 0.0 110.224 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -149.36 112.61 3.49 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 125.61 1.564 . . . . 0.0 107.789 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.36 117.83 4.21 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.558 2.839 . . . . 0.0 110.916 170.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m -136.67 176.88 8.3 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.867 1.267 . . . . 0.0 109.309 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.95 169.8 34.18 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.72 126.77 23.52 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 124.546 3.497 . . . . 0.0 112.022 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 m -69.75 -49.38 53.63 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.268 0.627 . . . . 0.0 110.02 -177.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.5 p -90.01 22.19 3.33 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.78 1.232 . . . . 0.0 111.855 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 51.19 -112.52 0.64 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.953 1.701 . . . . 0.0 111.154 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -135.0 63.1 1.63 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.031 1.332 . . . . 0.0 107.716 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -136.82 -68.14 0.49 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.901 1.28 . . . . 0.0 107.866 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -90.11 70.21 7.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.28 1.032 . . . . 0.0 108.585 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -64.56 -15.23 60.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.267 1.427 . . . . 0.0 111.829 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.36 -10.81 26.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.084 1.353 . . . . 0.0 112.048 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -89.22 146.3 24.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.175 0.99 . . . . 0.0 109.294 175.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.57 145.52 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 125.103 1.361 . . . . 0.0 108.451 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -105.09 151.29 24.17 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.847 1.259 . . . . 0.0 111.299 -169.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -109.08 110.4 60.7 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 125.44 1.496 . . . . 0.0 107.422 169.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -77.22 2.15 7.96 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.96 2.44 . . . . 0.0 113.107 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -89.44 -44.94 9.8 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.822 0.849 . . . . 0.0 109.843 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.1 p -105.09 -26.6 12.04 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.898 1.279 . . . . 0.0 111.721 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m 84.56 8.75 0.46 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.013 2.125 . . . . 0.0 111.671 -171.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -68.89 155.74 39.71 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.7 m -127.65 155.28 44.15 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.62 0.768 . . . . 0.0 109.507 169.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -139.14 142.98 38.02 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.818 1.247 . . . . 0.0 108.403 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.0 m -73.47 127.76 33.61 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.153 0.581 . . . . 0.0 111.291 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.79 -44.14 96.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.477 1.111 . . . . 0.0 109.579 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -80.36 111.63 16.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.75 1.22 . . . . 0.0 108.538 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.4 p -103.37 170.84 7.71 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.391 1.076 . . . . 0.0 111.121 -175.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -58.92 -39.43 81.53 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.868 0.867 . . . . 0.0 110.328 169.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -62.72 -43.7 98.12 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.015 0.926 . . . . 0.0 110.829 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -59.58 -50.42 73.97 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.754 0.822 . . . . 0.0 110.517 177.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.6 m -63.11 -45.29 92.71 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.271 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -59.66 -40.9 89.27 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.481 1.112 . . . . 0.0 111.36 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.91 -30.58 69.14 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.249 0.62 . . . . 0.0 111.286 173.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -99.01 18.95 16.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.396 1.078 . . . . 0.0 111.093 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 59.16 43.49 17.14 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.368 1.867 . . . . 0.0 113.009 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.7 mt -140.17 -177.64 5.1 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.431 1.892 . . . . 0.0 108.167 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -130.42 149.99 51.84 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.69 0.796 . . . . 0.0 109.698 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 tp -81.27 136.9 35.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.284 1.034 . . . . 0.0 110.674 -175.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -89.8 111.21 22.15 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 168.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -62.3 -16.29 53.08 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -174.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -79.7 -56.97 3.9 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.786 0.721 . . . . 0.0 110.218 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -89.47 -22.92 22.24 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.789 0.835 . . . . 0.0 111.755 -176.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.7 m 58.88 52.51 6.44 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.092 1.757 . . . . 0.0 110.826 -169.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -121.92 154.2 37.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.962 1.705 . . . . 0.0 107.592 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 74.2 m -89.21 137.95 31.86 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -140.23 158.52 43.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.013 1.325 . . . . 0.0 109.737 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -73.4 131.39 82.84 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -78.45 74.34 5.44 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.241 2.627 . . . . 0.0 110.687 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.31 37.42 0.29 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.319 1.047 . . . . 0.0 111.457 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.884 -1.532 . . . . 0.0 107.922 173.432 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -78.73 70.22 5.04 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.9 0.88 . . . . 0.0 110.516 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -72.88 94.48 1.83 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.828 0.851 . . . . 0.0 109.496 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.91 177.22 10.35 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.512 1.125 . . . . 0.0 109.713 177.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -143.02 150.55 53.23 Favored Pre-proline 0 CA--C 1.53 0.209 0 C-N-CA 124.588 1.155 . . . . 0.0 108.664 174.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -78.37 67.01 8.38 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.712 2.941 . . . . 0.0 109.691 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 94.7 m -138.28 161.82 35.93 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.987 1.315 . . . . 0.0 109.479 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.46 99.26 0.68 Allowed Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.906 1.241 . . . . 0.0 110.011 -176.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -47.31 131.28 18.22 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 124.505 3.47 . . . . 0.0 112.733 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.1 m -70.52 -52.78 19.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.633 0.773 . . . . 0.0 110.341 -175.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -82.44 -178.28 7.0 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.835 0.854 . . . . 0.0 110.911 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.68 -170.13 0.99 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.771 1.228 . . . . 0.0 110.651 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -88.14 -36.28 16.95 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.568 1.147 . . . . 0.0 108.033 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -50.11 -45.47 52.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.617 1.567 . . . . 0.0 109.794 168.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.43 58.48 1.71 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.749 2.019 . . . . 0.0 110.246 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -70.13 -19.22 63.23 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.581 1.552 . . . . 0.0 112.805 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.7 -9.12 48.53 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.304 1.042 . . . . 0.0 112.267 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -89.3 142.87 27.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.085 0.954 . . . . 0.0 108.994 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.19 163.16 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.525 1.53 . . . . 0.0 108.139 171.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -140.03 139.17 35.92 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.759 0.824 . . . . 0.0 109.705 -175.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.93 121.87 78.08 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.762 -178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.63 -42.4 29.64 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 124.381 3.387 . . . . 0.0 114.644 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -93.0 -49.64 5.92 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.6 0.76 . . . . 0.0 111.894 -170.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -99.0 -12.08 20.93 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.9 m 69.51 18.72 7.71 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.805 1.242 . . . . 0.0 113.761 172.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -79.45 135.41 36.66 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.5 m -99.38 136.52 39.21 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 124.054 0.941 . . . . 0.0 110.136 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.8 p -141.38 146.47 36.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.117 0.967 . . . . 0.0 109.904 172.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.5 m -79.51 137.2 37.11 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.762 0.425 . . . . 0.0 111.0 170.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -65.13 -46.82 79.38 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 171.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -76.17 123.51 25.96 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.06 0.944 . . . . 0.0 108.946 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.9 p -116.97 167.22 11.33 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.416 1.086 . . . . 0.0 111.243 -174.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -56.53 -38.08 71.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.479 1.112 . . . . 0.0 110.965 172.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.7 p -64.64 -46.45 82.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.453 0.701 . . . . 0.0 111.284 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -60.21 -46.34 90.07 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.156 0.582 . . . . 0.0 110.689 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.66 -46.82 83.89 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.153 0.181 . . . . 0.0 111.183 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -60.05 -39.51 86.23 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.433 1.093 . . . . 0.0 111.303 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.17 64.88 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.465 0.706 . . . . 0.0 111.827 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -98.68 8.93 44.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.549 1.14 . . . . 0.0 110.925 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 64.16 44.93 4.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.006 1.723 . . . . 0.0 111.491 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -134.45 172.87 12.3 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.244 1.818 . . . . 0.0 108.503 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -126.26 128.02 46.53 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.986 0.914 . . . . 0.0 109.716 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.3 124.62 23.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.722 0.409 . . . . 0.0 110.243 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -89.14 89.75 8.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 169.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.74 -16.37 0.07 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.958 2.103 . . . . 0.0 116.35 -175.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -78.42 -42.02 31.27 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 119.128 0.877 . . . . 0.0 110.273 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -109.04 -11.46 14.95 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.522 1.129 . . . . 0.0 111.915 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.2 m 50.17 58.61 5.29 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.739 2.016 . . . . 0.0 112.215 -173.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -126.0 153.32 44.52 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 125.534 1.534 . . . . 0.0 107.985 170.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -89.17 126.42 35.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.246 0.618 . . . . 0.0 109.533 -174.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -110.63 145.79 37.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.414 1.486 . . . . 0.0 111.156 -172.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -78.04 130.63 72.01 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 125.417 1.487 . . . . 0.0 109.429 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.91 86.73 1.05 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.209 2.606 . . . . 0.0 110.038 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -71.64 -64.71 0.87 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.625 0.77 . . . . 0.0 109.575 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.181 -1.39 . . . . 0.0 108.098 174.041 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? 68.83 -68.98 0.17 Allowed 'General case' 0 C--N 1.342 0.277 0 C-N-CA 126.549 1.939 . . . . 0.0 108.224 -169.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -70.65 153.76 42.52 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 168.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -70.74 81.54 0.62 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -149.15 71.66 10.14 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 124.584 1.153 . . . . 0.0 108.717 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.71 81.49 2.66 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.684 2.923 . . . . 0.0 110.687 -173.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.8 m -128.94 174.41 9.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.025 1.33 . . . . 0.0 109.227 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.58 -164.22 10.88 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 -173.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -53.31 142.52 56.85 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 124.442 3.428 . . . . 0.0 112.998 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.4 m -73.84 -75.24 0.16 Allowed 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.749 0.82 . . . . 0.0 110.232 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 t -90.39 -155.75 0.39 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.944 0.898 . . . . 0.0 110.257 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.7 172.16 6.73 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.521 1.128 . . . . 0.0 111.125 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -88.59 54.5 3.06 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 mtp-105 -155.98 -57.22 0.09 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 128.541 2.736 . . . . 0.0 105.488 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.0 69.12 0.96 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.942 2.097 . . . . 0.0 109.412 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -83.0 -2.34 55.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.93 1.292 . . . . 0.0 111.19 171.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -84.39 48.69 1.54 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.371 1.469 . . . . 0.0 108.85 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -140.89 149.94 42.56 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.158 1.783 . . . . 0.0 108.282 -174.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.5 m -129.16 151.71 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 125.67 1.588 . . . . 0.0 108.786 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -123.67 135.97 54.21 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.811 1.244 . . . . 0.0 109.526 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.21 122.44 82.87 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 123.475 0.71 . . . . 0.0 109.64 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -50.22 -31.44 29.12 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 124.195 3.263 . . . . 0.0 115.682 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -99.87 -49.81 4.22 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.769 0.827 . . . . 0.0 111.756 -171.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.3 p -99.22 -17.41 18.13 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.673 0.789 . . . . 0.0 112.365 -170.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.1 m 64.52 20.21 12.07 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.989 1.316 . . . . 0.0 112.734 -174.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -66.73 130.79 44.34 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 169.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 68.5 m -99.4 144.9 27.98 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.067 0.547 . . . . 0.0 110.539 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.4 m -140.75 156.47 46.18 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.228 1.411 . . . . 0.0 107.855 171.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.3 m -69.51 146.31 51.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.849 0.357 . . . . 0.0 110.603 171.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -64.02 -47.02 81.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.169 0.987 . . . . 0.0 109.225 172.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -84.61 145.51 27.98 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.94 1.296 . . . . 0.0 109.463 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.0 p -134.7 162.08 33.35 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 124.132 0.973 . . . . 0.0 111.188 -171.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -59.14 -37.87 78.3 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 123.971 0.909 . . . . 0.0 110.807 171.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m -62.6 -49.12 76.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.093 0.957 . . . . 0.0 110.809 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -57.76 -47.72 81.7 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.32 1.048 . . . . 0.0 110.856 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.71 -46.32 88.68 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.292 0.237 . . . . 0.0 111.171 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.23 -37.57 83.52 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.922 1.289 . . . . 0.0 111.72 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.66 -36.5 69.62 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.979 0.511 . . . . 0.0 111.129 173.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.69 24.27 8.52 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.84 0.856 . . . . 0.0 112.115 176.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 61.04 42.19 12.89 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.598 1.559 . . . . 0.0 112.963 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -138.31 179.93 6.17 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.992 1.717 . . . . 0.0 108.196 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -134.61 155.89 49.67 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.377 0.671 . . . . 0.0 109.791 173.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.2 tp -83.74 133.75 34.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.326 1.05 . . . . 0.0 111.502 -171.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -89.59 102.89 15.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 104.659 -2.348 . . . . 0.0 104.659 167.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -60.35 -12.87 10.38 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -172.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -79.24 -53.75 6.65 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.524 0.73 . . . . 0.0 109.777 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -89.83 -26.18 20.67 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.438 1.095 . . . . 0.0 111.238 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 69.2 m 60.21 57.42 2.95 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.414 1.886 . . . . 0.0 110.312 -169.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -126.18 154.79 42.73 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.369 1.868 . . . . 0.0 108.46 170.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 84.6 m -89.2 136.19 33.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -176.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -140.23 161.92 36.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.457 1.503 . . . . 0.0 109.764 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -70.66 127.89 91.49 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.26 103.8 1.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.843 2.362 . . . . 0.0 109.902 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -155.64 -143.05 0.12 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.484 1.114 . . . . 0.0 108.48 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.162 1.385 . . . . 0.0 109.123 -179.602 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.0 m . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 120.722 0.296 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.76 118.39 6.14 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -43.21 135.19 5.99 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 125.038 3.826 . . . . 0.0 113.402 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.8 m -63.06 -61.81 2.13 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 124.465 1.106 . . . . 0.0 111.215 -169.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -84.92 68.88 10.68 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.74 0.816 . . . . 0.0 110.046 -177.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 61.21 -102.86 0.13 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.281 1.433 . . . . 0.0 110.861 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -150.22 -47.01 0.13 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.27 1.428 . . . . 0.0 109.525 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -48.05 -28.97 3.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.93 2.092 . . . . 0.0 114.201 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -71.62 70.72 0.68 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.006 1.322 . . . . 0.0 110.127 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -71.65 -19.22 62.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.297 1.039 . . . . 0.0 111.566 175.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.94 -15.79 62.62 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.559 1.144 . . . . 0.0 111.335 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -89.87 144.81 25.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.127 0.971 . . . . 0.0 109.307 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 m -118.06 157.33 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 125.648 1.579 . . . . 0.0 107.614 169.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -134.32 139.33 45.6 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.703 0.801 . . . . 0.0 110.794 -170.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.1 129.28 93.11 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 123.78 0.832 . . . . 0.0 109.167 176.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -68.93 -27.09 30.94 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.233 2.622 . . . . 0.0 113.919 -169.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -97.98 -47.95 5.33 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.423 0.689 . . . . 0.0 112.138 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.2 p -99.57 -8.65 24.25 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.592 0.757 . . . . 0.0 112.801 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 m 67.19 18.92 10.4 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.707 1.203 . . . . 0.0 113.453 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -81.63 130.27 34.99 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 77.6 m -102.64 144.33 31.17 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.601 0.76 . . . . 0.0 111.834 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -140.59 145.7 37.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.011 1.324 . . . . 0.0 108.767 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.2 m -79.58 140.87 37.02 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.292 0.637 . . . . 0.0 111.984 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -66.72 -46.97 73.81 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.552 0.741 . . . . 0.0 109.191 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -74.41 150.72 39.86 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.294 1.038 . . . . 0.0 109.716 176.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 p -140.0 160.86 38.98 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.934 0.894 . . . . 0.0 111.268 -172.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.11 -31.94 72.45 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.436 0.694 . . . . 0.0 111.127 170.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 p -64.37 -47.99 77.19 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.145 0.578 . . . . 0.0 110.95 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -56.46 -51.98 66.41 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 122.851 0.46 . . . . 0.0 110.314 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.9 m -60.73 -43.28 98.08 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.39 0.276 . . . . 0.0 111.427 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.15 -39.0 88.45 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.949 0.9 . . . . 0.0 111.289 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.03 -24.48 66.21 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.945 0.498 . . . . 0.0 112.088 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -99.27 8.32 44.86 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.033 1.333 . . . . 0.0 110.934 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.67 47.28 8.35 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.98 1.712 . . . . 0.0 110.803 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -140.2 179.69 6.49 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.585 2.354 . . . . 0.0 107.533 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -135.14 163.85 29.0 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.61 0.764 . . . . 0.0 109.055 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 tp -84.96 132.19 34.39 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.313 0.645 . . . . 0.0 110.692 -173.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -89.25 103.07 15.73 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 168.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.31 -6.29 9.48 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -79.26 -55.96 4.7 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.778 0.831 . . . . 0.0 109.283 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.2 p -93.09 -21.5 19.67 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.974 1.309 . . . . 0.0 111.659 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.8 m 57.88 50.42 10.48 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 126.272 1.829 . . . . 0.0 110.904 -169.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.9 mtp-105 -114.39 159.38 20.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.87 1.668 . . . . 0.0 107.835 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.4 m -89.21 125.15 34.95 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -124.35 175.45 7.09 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.907 1.683 . . . . 0.0 109.674 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -53.89 142.93 43.23 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 123.492 0.717 . . . . 0.0 110.684 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 N--CA 1.452 -0.961 0 C-N-CA 122.742 2.295 . . . . 0.0 110.044 -172.414 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.6 m . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.34 -166.42 10.77 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -54.69 130.65 41.48 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 124.31 3.34 . . . . 0.0 112.383 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.2 m -67.66 -27.93 67.27 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.795 0.438 . . . . 0.0 110.332 172.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.5 p -71.28 -10.43 59.75 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.274 1.03 . . . . 0.0 112.182 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 78.34 -33.0 0.16 Allowed 'General case' 0 C--N 1.344 0.337 0 C-N-CA 127.192 2.197 . . . . 0.0 113.892 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -89.23 -81.9 0.26 Allowed 'General case' 0 C--N 1.34 0.155 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.9 tpt85 -165.43 99.86 0.71 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 158.7 24.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.507 0.723 . . . . 0.0 111.349 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -146.01 -51.54 0.24 Allowed 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.456 1.103 . . . . 0.0 108.935 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.41 -27.42 67.83 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.506 1.122 . . . . 0.0 111.047 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -89.81 136.06 33.26 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.058 0.943 . . . . 0.0 109.636 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 m -105.34 133.55 49.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 168.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -117.95 139.89 50.51 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 124.148 0.979 . . . . 0.0 110.364 -171.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.87 126.14 62.36 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 124.257 1.023 . . . . 0.0 108.795 176.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.65 -14.95 21.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.082 2.521 . . . . 0.0 113.838 -174.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -89.42 -48.27 7.45 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.978 0.808 . . . . 0.0 110.289 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.7 p -99.43 -13.14 19.67 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.118 0.967 . . . . 0.0 112.17 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.7 m 61.71 31.65 18.51 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.829 1.252 . . . . 0.0 111.795 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -88.8 121.4 31.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.8 m -99.03 138.29 36.34 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.8 m -140.14 137.96 34.85 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.118 0.967 . . . . 0.0 108.444 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 75.5 m -75.53 121.8 22.92 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.145 0.578 . . . . 0.0 110.718 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.04 -39.81 94.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.557 0.743 . . . . 0.0 109.9 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -73.05 120.88 19.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.547 0.739 . . . . 0.0 109.032 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.1 p -114.79 162.2 17.17 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.196 0.998 . . . . 0.0 110.565 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.15 -32.32 62.01 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.809 1.244 . . . . 0.0 111.873 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 m -58.14 -49.0 78.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.162 0.985 . . . . 0.0 111.337 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -61.27 -49.05 78.63 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.406 0.682 . . . . 0.0 109.833 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.8 m -59.37 -46.31 89.0 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.038 0.535 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.45 -39.68 94.15 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.783 0.833 . . . . 0.0 111.106 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.4 -23.59 65.91 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.104 0.561 . . . . 0.0 112.221 173.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -99.08 6.7 46.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.881 1.272 . . . . 0.0 111.142 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.24 48.91 7.66 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 125.558 1.543 . . . . 0.0 110.629 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 mt -140.09 -178.04 5.27 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.758 2.423 . . . . 0.0 107.111 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.3 mm-40 -137.95 155.12 49.21 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.789 0.835 . . . . 0.0 109.803 173.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.3 tp -74.3 125.88 29.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.282 0.633 . . . . 0.0 110.364 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -89.1 98.0 11.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.86 -7.84 9.22 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -169.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -78.88 -55.94 4.77 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.0 p -89.92 -20.79 22.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.572 1.149 . . . . 0.0 111.624 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.7 m 57.58 51.04 10.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.716 2.007 . . . . 0.0 110.916 -169.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -119.62 156.61 30.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.736 1.615 . . . . 0.0 107.941 173.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.6 m -89.31 125.32 35.06 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -139.33 147.81 42.07 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.238 1.415 . . . . 0.0 108.415 -177.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -66.49 143.77 98.35 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-O 119.315 -0.374 . . . . 0.0 111.321 -174.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 C-N-CA 122.71 2.274 . . . . 0.0 110.517 177.564 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 m . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 120.979 0.419 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.67 171.23 55.0 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 174.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -69.63 146.26 60.47 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.915 3.077 . . . . 0.0 111.904 -173.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.5 m -86.23 -48.61 8.39 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.687 0.795 . . . . 0.0 109.694 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 p -85.32 -79.03 0.24 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.591 1.156 . . . . 0.0 111.191 -173.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.04 -150.22 0.3 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.432 1.093 . . . . 0.0 110.01 -175.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -88.25 -36.4 16.75 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.871 0.76 . . . . 0.0 112.188 -169.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -94.95 43.27 1.09 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.275 1.03 . . . . 0.0 110.153 -177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 21.76 0.2 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -169.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -63.66 -22.13 66.74 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.083 0.856 . . . . 0.0 113.15 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.93 -30.96 71.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.903 0.881 . . . . 0.0 110.844 171.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -89.71 139.82 30.19 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.853 1.261 . . . . 0.0 109.135 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -110.65 131.88 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -119.0 138.92 52.48 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 124.083 0.953 . . . . 0.0 110.853 -169.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -82.68 125.32 76.06 Favored Pre-proline 0 N--CA 1.453 -0.312 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.64 -22.72 23.86 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.67 2.247 . . . . 0.0 113.121 -170.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -89.25 -41.58 12.11 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.867 0.758 . . . . 0.0 111.272 -174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -99.18 -17.87 17.93 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.966 0.906 . . . . 0.0 111.852 -176.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.3 m 68.97 13.1 8.78 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.363 1.465 . . . . 0.0 112.468 -176.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -71.15 124.18 23.86 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 70.8 m -99.39 142.34 31.0 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.894 0.877 . . . . 0.0 109.452 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -140.3 142.42 35.68 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.65 1.18 . . . . 0.0 108.256 173.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.6 m -82.69 130.19 35.08 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 122.522 0.329 . . . . 0.0 111.479 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -67.76 -40.7 84.05 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.357 0.663 . . . . 0.0 109.42 171.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -82.65 147.18 28.68 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.798 1.239 . . . . 0.0 109.741 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.9 p -138.13 163.68 31.06 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.716 0.807 . . . . 0.0 111.345 -171.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.69 -30.05 70.2 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.555 0.742 . . . . 0.0 111.255 174.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.3 p -65.18 -46.29 81.4 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.631 0.372 . . . . 0.0 110.659 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 -61.33 -49.4 77.12 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 122.944 0.498 . . . . 0.0 110.572 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.5 m -57.91 -46.75 84.49 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -63.54 -38.72 92.22 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.23 1.012 . . . . 0.0 112.045 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.72 -27.84 66.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.926 0.49 . . . . 0.0 111.518 172.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -99.45 14.61 29.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.027 1.331 . . . . 0.0 111.244 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 59.88 48.81 8.51 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.791 1.636 . . . . 0.0 111.276 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.4 mt -140.7 -178.08 5.36 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.35 2.26 . . . . 0.0 108.27 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -138.01 147.55 44.29 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.894 0.878 . . . . 0.0 110.295 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 tp -79.48 129.18 34.23 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.807 0.843 . . . . 0.0 110.365 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -89.42 99.87 12.78 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 168.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -52.75 -22.81 5.7 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.727 1.611 . . . . 0.0 113.971 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -78.61 -34.67 46.51 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.543 0.611 . . . . 0.0 110.901 -174.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.8 p -107.9 -17.78 13.97 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.121 1.369 . . . . 0.0 111.561 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.8 m 50.07 43.99 25.77 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.863 2.065 . . . . 0.0 112.425 -169.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -113.33 158.82 20.09 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.468 1.507 . . . . 0.0 107.724 170.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 70.8 m -89.33 144.2 26.26 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -140.15 -174.3 3.89 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.814 2.046 . . . . 0.0 108.783 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -49.94 146.99 7.22 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 124.119 0.968 . . . . 0.0 112.356 -174.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo . . . . . 0 N--CA 1.458 -0.605 0 C-N-CA 124.119 3.213 . . . . 0.0 108.533 173.113 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 120.801 0.334 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.7 163.06 53.62 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.13 129.81 15.64 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.568 2.846 . . . . 0.0 111.081 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 86.2 m -67.06 -58.35 5.07 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.859 0.864 . . . . 0.0 109.904 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.4 p -78.42 149.72 33.23 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.717 0.807 . . . . 0.0 110.245 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.27 -20.91 66.63 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.17 0.588 . . . . 0.0 111.365 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -89.62 165.66 14.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.796 1.239 . . . . 0.0 110.481 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -75.32 85.94 2.5 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 174.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -57.73 160.24 4.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -171.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -176.83 -41.45 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 128.179 2.591 . . . . 0.0 107.363 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.1 mt -60.28 -35.17 74.93 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.46 1.104 . . . . 0.0 110.426 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -89.25 136.69 32.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.034 0.934 . . . . 0.0 109.15 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.6 m -107.7 129.23 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 169.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -109.11 141.82 40.74 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.509 1.124 . . . . 0.0 110.532 -173.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -99.16 116.4 65.17 Favored Pre-proline 0 N--CA 1.452 -0.335 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -72.85 -4.4 15.31 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.998 2.465 . . . . 0.0 112.911 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -88.59 -45.8 9.58 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 123.463 0.705 . . . . 0.0 109.877 -174.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.1 p -99.79 -32.02 11.23 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.31 1.044 . . . . 0.0 111.512 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.6 m 87.31 1.16 0.47 Allowed 'General case' 0 C--N 1.343 0.309 0 C-N-CA 127.835 2.454 . . . . 0.0 112.271 -169.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -66.42 143.11 57.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 118.523 0.601 . . . . 0.0 109.792 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.8 m -114.87 154.15 29.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.282 1.033 . . . . 0.0 110.03 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -140.28 145.21 37.0 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.183 0.993 . . . . 0.0 108.509 169.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -76.8 124.9 28.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.201 0.6 . . . . 0.0 110.352 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.51 -36.04 79.4 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.959 0.903 . . . . 0.0 110.23 173.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -77.07 116.93 18.15 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -107.8 162.21 14.2 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.183 0.993 . . . . 0.0 110.811 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.5 -35.96 68.61 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.995 0.918 . . . . 0.0 110.712 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 t -62.68 -49.1 76.46 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.837 0.855 . . . . 0.0 110.557 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -57.11 -44.41 83.22 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.195 0.598 . . . . 0.0 110.595 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.5 m -66.18 -46.18 78.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.977 0.511 . . . . 0.0 111.321 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -64.1 -33.78 76.56 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.992 0.917 . . . . 0.0 111.877 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.37 -25.58 67.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.52 0.728 . . . . 0.0 111.978 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -101.13 10.66 40.66 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.625 1.57 . . . . 0.0 111.653 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 59.62 48.91 8.93 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.96 1.704 . . . . 0.0 111.195 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.5 mt -135.52 179.24 6.46 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.234 1.814 . . . . 0.0 108.039 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -132.18 143.82 50.23 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.203 1.001 . . . . 0.0 109.645 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.5 tp -72.47 133.99 45.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.776 0.831 . . . . 0.0 109.905 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -89.33 117.96 28.66 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -68.01 -15.32 63.55 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -61.53 1.97 Allowed 'General case' 0 C--N 1.341 0.207 0 CA-C-N 118.646 0.657 . . . . 0.0 109.945 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.3 p -89.48 -25.5 21.42 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.693 0.797 . . . . 0.0 112.16 -171.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.2 m 62.23 52.84 3.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.719 1.608 . . . . 0.0 110.735 -169.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -117.06 154.76 30.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.793 1.637 . . . . 0.0 108.02 169.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.1 m -89.31 126.63 35.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -135.84 159.57 41.26 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.666 1.186 . . . . 0.0 109.542 -174.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -66.39 143.26 98.17 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 123.195 0.598 . . . . 0.0 110.284 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 N--CA 1.454 -0.816 0 C-N-CA 123.182 2.588 . . . . 0.0 110.453 178.739 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.0 m . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.36 176.06 20.03 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.731 1.157 . . . . 0.0 111.684 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.11 123.51 8.88 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 123.936 3.091 . . . . 0.0 110.683 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.19 -45.71 13.57 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.137 0.975 . . . . 0.0 110.274 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 t -79.29 175.3 10.72 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.566 0.746 . . . . 0.0 109.367 170.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.64 -39.31 91.28 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 172.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -149.11 -66.73 0.22 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.125 0.97 . . . . 0.0 109.645 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.406 ' H ' ' NE ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -88.3 78.13 8.06 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.975 0.91 . . . . 0.0 112.068 -171.634 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 17.05 2.37 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 173.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -68.71 -26.63 65.37 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.545 0.738 . . . . 0.0 111.237 172.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.7 -10.31 59.12 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.994 0.918 . . . . 0.0 111.62 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -108.68 147.38 31.99 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.728 1.211 . . . . 0.0 109.962 -177.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.7 m -99.94 142.74 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 168.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -139.7 135.22 32.95 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.674 0.79 . . . . 0.0 110.633 -169.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -80.57 124.18 82.23 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 171.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -70.57 -25.29 25.0 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.845 2.363 . . . . 0.0 112.955 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -89.27 -46.71 8.57 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.46 0.704 . . . . 0.0 110.767 -174.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -99.01 -11.2 21.73 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.679 0.791 . . . . 0.0 112.057 -172.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.4 m 65.4 21.41 11.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.694 1.198 . . . . 0.0 111.776 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -72.76 105.1 4.19 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.099 0.96 . . . . 0.0 108.465 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.4 m -99.87 143.38 30.16 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.173 0.989 . . . . 0.0 110.726 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -141.0 150.03 42.53 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.418 1.487 . . . . 0.0 108.165 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 82.8 m -78.79 133.72 37.05 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -71.47 -53.31 14.38 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -68.53 127.7 33.95 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.967 1.307 . . . . 0.0 109.916 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.4 p -109.87 161.09 15.8 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.27 1.028 . . . . 0.0 111.224 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.3 -31.45 72.26 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.663 0.785 . . . . 0.0 111.413 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 p -63.26 -47.13 83.68 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.168 0.587 . . . . 0.0 110.662 174.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -58.95 -46.41 88.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.168 0.587 . . . . 0.0 110.63 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.3 m -60.42 -46.09 91.28 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.002 0.365 . . . . 0.0 111.268 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -61.11 -32.97 72.65 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.87 1.268 . . . . 0.0 111.788 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.9 -30.16 68.83 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.122 0.419 . . . . 0.0 111.988 173.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -100.13 15.56 27.01 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.323 1.049 . . . . 0.0 111.198 174.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 58.87 48.46 11.11 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.358 1.463 . . . . 0.0 111.177 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.9 mt -134.61 176.38 8.68 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.501 1.92 . . . . 0.0 107.737 175.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -135.87 150.46 49.38 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.508 0.723 . . . . 0.0 110.073 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.6 tp -74.99 128.41 35.5 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.272 1.029 . . . . 0.0 110.071 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -89.5 107.18 18.93 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 106.671 -1.604 . . . . 0.0 106.671 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -57.54 -19.85 27.94 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -78.87 -50.11 11.78 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.301 0.641 . . . . 0.0 110.394 -173.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -98.75 -17.49 18.48 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.289 1.436 . . . . 0.0 111.768 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.7 m 50.5 54.69 10.71 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 126.762 2.025 . . . . 0.0 112.426 -172.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -118.73 161.37 20.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.877 1.671 . . . . 0.0 107.656 169.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -89.25 125.62 35.17 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -134.85 -176.46 4.25 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.478 1.511 . . . . 0.0 109.132 -175.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -52.18 136.78 39.19 Favored Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 123.906 0.882 . . . . 0.0 111.469 -173.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 C-N-CA 123.188 2.592 . . . . 0.0 110.613 -174.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 m . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 121.094 0.473 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.01 172.65 53.22 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.006 0.812 . . . . 0.0 111.742 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -75.96 131.13 12.91 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 123.209 2.606 . . . . 0.0 110.271 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.9 m -68.13 -42.81 79.63 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.869 0.868 . . . . 0.0 108.875 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t -71.61 -170.61 0.55 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.269 1.428 . . . . 0.0 109.553 169.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.11 -56.02 15.36 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 171.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.21 -60.55 0.62 Allowed 'General case' 0 C--N 1.34 0.162 0 C-N-CA 125.259 1.424 . . . . 0.0 108.159 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -73.69 86.4 1.65 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.04 1.336 . . . . 0.0 111.335 -175.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -90.87 40.39 1.02 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.883 0.873 . . . . 0.0 110.812 169.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -79.6 -36.12 38.54 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.996 0.519 . . . . 0.0 110.765 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -84.83 39.6 0.76 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.191 0.997 . . . . 0.0 110.5 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -147.39 162.86 38.14 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.921 1.288 . . . . 0.0 109.731 -172.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.8 m -125.0 129.61 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 168.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -108.9 130.0 55.43 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.971 0.908 . . . . 0.0 110.447 -172.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -67.21 130.66 93.6 Favored Pre-proline 0 CA--C 1.536 0.406 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -66.44 -42.25 10.26 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.937 2.425 . . . . 0.0 113.344 -169.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -89.07 -30.57 18.57 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -169.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.3 p -99.46 -22.98 15.27 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.344 0.658 . . . . 0.0 111.808 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 91.7 m 61.5 26.76 16.44 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.884 1.273 . . . . 0.0 112.575 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -90.14 134.46 34.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 171.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.4 m -101.58 155.53 18.03 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.099 0.56 . . . . 0.0 112.201 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -130.5 142.06 50.49 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 169.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 40.6 m -70.84 137.25 49.28 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.036 0.446 . . . . 0.0 111.172 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -71.2 -44.08 66.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.862 1.265 . . . . 0.0 109.246 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -80.16 146.98 31.53 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.012 1.325 . . . . 0.0 109.172 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.6 p -138.66 160.57 39.29 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.749 0.82 . . . . 0.0 110.624 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.97 -24.19 57.01 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.335 1.054 . . . . 0.0 112.282 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.6 m -62.94 -51.31 67.39 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.614 0.643 . . . . 0.0 110.57 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -61.19 -47.07 87.83 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.1 m -60.32 -46.26 90.53 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 122.815 0.446 . . . . 0.0 111.068 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -60.46 -41.42 94.11 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.962 0.905 . . . . 0.0 110.847 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.3 -27.92 66.3 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.733 0.413 . . . . 0.0 111.862 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -98.44 9.29 43.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.006 1.323 . . . . 0.0 111.023 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 61.94 44.97 7.82 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.97 1.708 . . . . 0.0 111.992 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.4 mt -140.26 -177.06 4.85 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.503 2.321 . . . . 0.0 107.655 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.5 mm-40 -138.47 159.37 42.25 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.216 1.007 . . . . 0.0 109.327 173.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -75.35 131.06 39.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.778 0.431 . . . . 0.0 110.467 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -89.13 100.24 13.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 169.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.79 -13.15 13.38 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -169.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -79.13 -57.03 3.93 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.697 0.681 . . . . 0.0 109.713 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.4 p -91.48 -20.08 22.13 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.568 1.147 . . . . 0.0 111.496 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 58.8 m 56.49 50.86 12.19 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 126.759 2.024 . . . . 0.0 111.775 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -110.84 162.01 15.23 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.928 1.691 . . . . 0.0 107.558 168.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.4 m -89.31 127.14 35.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -139.76 157.64 45.41 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.287 1.435 . . . . 0.0 109.163 -175.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -69.15 129.65 91.85 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo . . . . . 0 N--CA 1.454 -0.819 0 C-N-CA 122.476 2.117 . . . . 0.0 111.055 -178.09 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 CA--C 1.532 0.267 0 CA-C-O 120.977 0.418 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.36 171.5 31.6 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.78 135.5 35.75 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.861 3.04 . . . . 0.0 110.848 -176.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.8 m -76.79 -44.49 32.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.496 0.718 . . . . 0.0 109.761 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.4 p -76.42 -179.94 5.48 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.141 0.976 . . . . 0.0 111.218 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -67.41 -82.45 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.14 1.376 . . . . 0.0 111.279 -171.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -151.14 -74.02 0.15 Allowed 'General case' 0 C--N 1.339 0.122 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -1.57 11.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.045 0.938 . . . . 0.0 113.117 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -76.1 59.02 1.28 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.092 1.757 . . . . 0.0 109.592 170.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -72.79 -15.5 61.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.597 1.559 . . . . 0.0 111.721 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -64.74 -13.83 56.42 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.715 1.206 . . . . 0.0 111.828 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -89.17 134.54 33.98 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 169.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.73 137.99 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 125.128 1.371 . . . . 0.0 108.424 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.13 148.35 25.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.167 1.387 . . . . 0.0 111.179 -169.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -102.17 118.17 59.67 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 125.116 1.367 . . . . 0.0 107.946 172.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.88 -10.01 19.7 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.23 2.62 . . . . 0.0 113.51 -172.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -89.38 -47.12 8.23 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.743 0.701 . . . . 0.0 110.248 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.9 p -99.63 -22.42 15.44 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.845 1.258 . . . . 0.0 111.967 -174.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m 77.31 3.64 3.18 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 126.071 1.748 . . . . 0.0 112.549 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -73.35 164.45 26.65 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.6 m -136.38 158.01 45.43 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.454 0.702 . . . . 0.0 110.081 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.8 p -140.4 147.83 40.33 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.406 1.082 . . . . 0.0 108.871 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.9 m -78.93 130.09 35.21 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.897 0.479 . . . . 0.0 111.164 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -61.22 -45.2 95.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.209 1.004 . . . . 0.0 109.541 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -77.22 115.07 16.69 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.562 1.145 . . . . 0.0 108.863 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -104.7 164.38 11.81 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.021 0.928 . . . . 0.0 111.115 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.03 -35.7 71.66 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.167 0.987 . . . . 0.0 110.523 169.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -62.73 -46.78 86.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.721 0.808 . . . . 0.0 110.669 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -60.68 -48.53 81.36 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.666 0.386 . . . . 0.0 110.36 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.9 m -59.94 -45.34 92.96 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.382 0.273 . . . . 0.0 110.911 176.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -61.57 -35.57 78.19 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.091 0.956 . . . . 0.0 111.484 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.73 -24.09 67.63 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.38 0.672 . . . . 0.0 111.893 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -99.55 8.49 44.42 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.907 1.283 . . . . 0.0 111.515 172.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 60.08 50.96 6.07 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.931 1.692 . . . . 0.0 110.929 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -138.93 173.46 11.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.289 1.836 . . . . 0.0 108.546 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -119.2 150.19 40.48 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 125.017 1.327 . . . . 0.0 109.035 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.3 tp -83.92 137.48 33.63 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.423 0.689 . . . . 0.0 109.952 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -89.38 112.32 23.4 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -63.04 -18.77 63.71 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -173.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -79.22 -51.65 9.2 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.468 0.576 . . . . 0.0 110.955 -174.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.5 t -107.43 -11.94 15.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.626 1.17 . . . . 0.0 112.662 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.0 m 54.78 57.17 5.91 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.517 1.527 . . . . 0.0 112.016 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -125.38 154.78 41.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.918 1.687 . . . . 0.0 107.161 169.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 84.3 m -88.87 142.73 27.41 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -140.22 159.58 41.88 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.455 1.502 . . . . 0.0 110.203 -173.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -69.59 138.94 88.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo . . . . . 0 N--CA 1.458 -0.583 0 C-N-CA 124.458 3.439 . . . . 0.0 112.891 175.531 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.1 m . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.619 0.247 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.79 171.49 34.58 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -60.67 128.47 25.87 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.778 2.985 . . . . 0.0 111.549 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.88 -44.03 17.38 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 169.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.6 t -76.41 -81.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.822 0.849 . . . . 0.0 110.59 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -145.67 -68.35 0.29 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.794 0.838 . . . . 0.0 110.432 -174.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ptt-85 -104.16 -42.31 5.56 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 124.599 1.16 . . . . 0.0 109.742 -172.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -171.16 120.17 0.51 Allowed 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 126.654 1.981 . . . . 0.0 105.657 170.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.73 134.55 24.77 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.378 1.071 . . . . 0.0 111.131 175.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -129.36 -54.08 1.18 Allowed 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.641 1.176 . . . . 0.0 109.735 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.3 mt -81.41 38.54 0.49 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.791 1.236 . . . . 0.0 110.865 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -150.16 147.68 28.03 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.109 1.364 . . . . 0.0 109.049 -171.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.76 137.73 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 168.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -125.7 133.92 51.98 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 124.277 1.031 . . . . 0.0 110.172 -170.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -70.69 124.83 91.61 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.51 -23.75 36.92 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.899 2.4 . . . . 0.0 113.475 -170.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -89.19 -47.27 8.18 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.159 0.584 . . . . 0.0 110.806 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.6 p -99.36 -14.82 19.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.106 0.962 . . . . 0.0 112.167 -173.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.3 m 65.69 20.09 11.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.232 1.413 . . . . 0.0 112.469 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -76.46 122.84 25.12 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.5 m -99.84 149.48 23.34 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.105 0.962 . . . . 0.0 111.345 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.6 p -140.15 146.81 39.28 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.421 1.488 . . . . 0.0 107.227 169.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.5 m -70.46 136.98 49.93 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 121.014 0.435 . . . . 0.0 111.73 -173.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -72.17 -45.76 59.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.61 1.164 . . . . 0.0 109.406 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -75.98 126.75 31.59 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.286 1.034 . . . . 0.0 108.613 173.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.0 p -106.29 163.47 12.8 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.062 0.945 . . . . 0.0 110.755 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -66.0 -31.56 72.53 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.986 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.7 t -61.81 -48.11 82.08 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.511 0.724 . . . . 0.0 110.358 173.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -51.33 -46.38 62.6 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.61 1.164 . . . . 0.0 110.441 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.12 -40.38 74.91 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.965 0.506 . . . . 0.0 112.309 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -62.79 -27.04 69.03 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.211 1.004 . . . . 0.0 111.643 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.26 57.08 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.924 0.889 . . . . 0.0 112.367 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.33 23.72 14.09 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.029 0.932 . . . . 0.0 111.579 176.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 57.68 48.86 13.32 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.432 1.493 . . . . 0.0 111.487 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.6 mt -127.99 177.4 6.9 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.849 1.659 . . . . 0.0 107.599 171.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -133.67 159.87 39.23 Favored 'General case' 0 C--O 1.228 -0.053 0 C-N-CA 123.334 0.653 . . . . 0.0 109.57 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 tp -72.17 142.04 49.07 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.38 1.072 . . . . 0.0 110.624 -175.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -88.81 112.54 23.35 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 171.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.31 -27.14 54.65 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.187 0.595 . . . . 0.0 112.503 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -79.43 -63.47 1.41 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.806 0.843 . . . . 0.0 111.099 -173.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -97.62 -21.44 17.05 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.731 0.812 . . . . 0.0 111.901 -172.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . 0.29 68.8 m 67.19 56.52 0.63 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.19 1.396 . . . . 0.0 111.865 -178.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -122.78 159.59 27.74 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 127.243 2.217 . . . . 0.0 106.866 168.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 79.7 m -89.11 136.26 33.11 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.36 165.1 28.32 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.364 1.466 . . . . 0.0 110.89 -172.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -68.89 119.47 69.71 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 168.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo . . . . . 0 CA--C 1.537 0.671 1 C-N-CA 125.537 4.158 . . . . 0.0 116.304 -171.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.625 0.25 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.9 -178.63 40.54 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.55 1.071 . . . . 0.0 110.755 175.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.61 126.98 10.58 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.461 2.774 . . . . 0.0 110.518 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.2 m -71.41 -52.49 18.28 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.866 0.866 . . . . 0.0 111.115 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.3 t -74.9 -73.81 0.23 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.821 0.448 . . . . 0.0 110.313 -173.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -144.59 -68.97 0.3 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.469 1.108 . . . . 0.0 108.474 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -141.73 -76.43 0.29 Allowed 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.515 1.126 . . . . 0.0 109.183 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 -82.78 58.42 4.29 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.149 0.98 . . . . 0.0 111.722 -170.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.86 126.51 30.8 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -144.28 -44.25 0.25 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.45 1.1 . . . . 0.0 110.726 -173.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.22 -11.08 37.21 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.15 0.98 . . . . 0.0 111.533 173.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -89.59 131.79 35.42 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.121 1.368 . . . . 0.0 108.678 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -99.95 133.01 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 169.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -119.83 138.98 53.05 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.304 1.042 . . . . 0.0 111.417 -169.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -72.08 119.37 74.17 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 123.957 0.903 . . . . 0.0 108.863 172.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -52.61 -33.8 60.33 Favored 'Trans proline' 0 CA--C 1.534 0.482 0 C-N-CA 123.79 2.993 . . . . 0.0 115.306 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -89.09 -46.37 8.88 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.432 0.693 . . . . 0.0 111.468 -169.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -99.05 -12.76 20.26 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.669 0.788 . . . . 0.0 111.954 -173.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.7 m 63.5 22.62 13.29 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.067 1.347 . . . . 0.0 111.759 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -76.45 116.95 17.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.876 0.87 . . . . 0.0 108.776 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.7 m -99.78 145.29 27.87 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.699 0.799 . . . . 0.0 111.691 -177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.6 t -140.83 145.73 36.64 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.26 1.424 . . . . 0.0 107.897 169.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.5 m -83.99 134.46 34.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 122.654 0.382 . . . . 0.0 111.294 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.73 -51.42 67.22 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 171.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -76.97 105.4 8.02 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.4 p -99.73 177.17 5.22 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.683 1.193 . . . . 0.0 110.943 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.8 -38.47 72.59 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.288 1.035 . . . . 0.0 110.846 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.7 p -67.53 -41.4 84.43 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.126 0.57 . . . . 0.0 111.339 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.23 -50.92 71.36 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.269 0.486 . . . . 0.0 110.375 175.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.2 m -64.68 -47.1 79.63 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.311 0.244 . . . . 0.0 111.421 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -62.33 -32.41 73.17 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.649 1.18 . . . . 0.0 112.09 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.09 -28.16 67.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.181 0.593 . . . . 0.0 111.849 173.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -102.29 12.74 36.18 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.769 1.228 . . . . 0.0 111.711 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 59.29 49.47 8.94 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.723 1.609 . . . . 0.0 111.011 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -133.92 170.04 16.21 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.936 1.694 . . . . 0.0 108.313 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -121.28 141.6 50.75 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.885 1.274 . . . . 0.0 109.484 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 tp -77.33 136.65 38.48 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.0 0.92 . . . . 0.0 110.646 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -89.31 113.66 24.96 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 169.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -53.72 -36.3 62.12 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.342 1.057 . . . . 0.0 113.266 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -78.9 -49.15 13.33 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.203 0.456 . . . . 0.0 111.819 -169.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.8 p -89.6 -24.2 21.75 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.359 0.664 . . . . 0.0 111.554 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.0 m 55.53 54.89 7.88 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.339 1.456 . . . . 0.0 110.256 -169.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -122.0 154.72 36.87 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.603 1.961 . . . . 0.0 107.422 169.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 65.9 m -89.31 142.13 27.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -140.02 159.04 43.07 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.519 1.528 . . . . 0.0 108.637 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -57.69 153.01 32.97 Favored Pre-proline 0 CA--C 1.538 0.495 0 C-N-CA 123.362 0.665 . . . . 0.0 110.955 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo . . . . . 0 CA--C 1.538 0.703 0 C-N-CA 125.119 3.88 . . . . 0.0 112.374 169.179 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.7 m . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.626 0.25 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.08 -174.5 48.99 Favored Glycine 0 CA--C 1.533 1.193 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 174.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.26 141.54 97.97 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.679 2.919 . . . . 0.0 112.709 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.3 m -90.21 -60.87 1.81 Allowed 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.192 0.997 . . . . 0.0 109.664 174.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.5 p -70.81 -67.25 0.52 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.652 0.781 . . . . 0.0 110.527 -174.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.96 -58.85 0.22 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.69 0.796 . . . . 0.0 111.231 177.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -151.69 -64.81 0.18 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.621 1.168 . . . . 0.0 108.526 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -85.04 67.05 10.06 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.732 1.213 . . . . 0.0 110.531 -173.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.14 58.73 3.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.459 0.647 . . . . 0.0 110.422 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -72.29 -54.83 8.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.935 0.894 . . . . 0.0 110.95 -174.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -91.64 50.45 1.71 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.261 1.024 . . . . 0.0 109.75 -175.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -133.49 138.77 46.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.509 1.524 . . . . 0.0 107.735 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.5 m -99.98 115.0 40.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 169.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -105.8 132.4 51.96 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.25 1.42 . . . . 0.0 111.279 -169.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.54 132.54 68.79 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 123.864 0.866 . . . . 0.0 108.913 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -71.23 -42.17 2.14 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.034 2.489 . . . . 0.0 113.046 -173.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -89.54 -30.15 18.41 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -170.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.1 p -99.33 -23.51 15.14 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.518 0.727 . . . . 0.0 111.593 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.8 m 63.77 23.62 13.52 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.72 1.208 . . . . 0.0 112.3 -174.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -87.37 132.76 33.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 171.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.1 m -110.48 154.68 23.3 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.258 0.623 . . . . 0.0 111.105 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -140.51 142.27 35.26 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.924 -1.509 . . . . 0.0 106.924 168.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.9 m -85.08 135.8 33.83 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.406 0.282 . . . . 0.0 111.513 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -61.56 -45.25 94.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 169.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -80.86 105.71 12.31 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.147 0.979 . . . . 0.0 108.479 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -99.42 174.12 6.43 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.287 1.035 . . . . 0.0 110.406 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -67.08 -32.99 74.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.024 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.0 p -65.36 -44.21 88.37 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.311 0.645 . . . . 0.0 110.819 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -56.01 -44.4 78.62 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.158 0.583 . . . . 0.0 110.354 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.7 m -68.02 -37.28 81.21 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.904 0.482 . . . . 0.0 111.82 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -37.63 80.47 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.477 0.711 . . . . 0.0 111.04 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.86 -25.9 61.36 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.939 0.896 . . . . 0.0 112.409 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -99.41 2.23 44.97 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.437 1.095 . . . . 0.0 110.947 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 61.17 52.01 4.13 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.8 1.64 . . . . 0.0 109.836 -173.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -138.4 173.69 11.34 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.932 2.093 . . . . 0.0 107.94 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -131.0 150.21 52.25 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.618 1.167 . . . . 0.0 109.841 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -80.76 136.37 36.13 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.697 0.799 . . . . 0.0 111.144 -173.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -90.42 112.04 23.51 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 169.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -66.65 -9.31 34.5 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -80.39 -56.11 4.42 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.951 0.796 . . . . 0.0 110.297 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.4 p -99.87 -22.04 15.47 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.862 1.265 . . . . 0.0 112.369 -175.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.3 m 61.06 56.91 2.65 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.925 1.69 . . . . 0.0 110.96 -168.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -115.43 154.36 29.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.586 1.554 . . . . 0.0 108.492 168.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.7 m -89.5 131.45 35.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.86 -171.95 3.2 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.847 1.659 . . . . 0.0 109.116 -173.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -41.06 132.22 1.92 Allowed Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 125.728 1.611 . . . . 0.0 111.492 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo . . . . . 0 C--N 1.35 0.627 0 C-N-CA 123.864 3.043 . . . . 0.0 109.91 178.473 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.1 m . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.16 -175.4 37.7 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 173.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.87 151.02 24.13 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 123.697 2.932 . . . . 0.0 110.208 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.1 m -75.04 -37.7 61.64 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 170.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 m -73.75 -178.23 3.09 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.568 1.547 . . . . 0.0 112.408 -173.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -58.45 -43.02 88.67 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.366 1.067 . . . . 0.0 111.483 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -141.53 -134.17 0.1 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -62.71 111.31 2.04 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.175 0.59 . . . . 0.0 109.692 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 62.0 0.59 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.052 1.741 . . . . 0.0 112.458 -176.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -60.61 -51.49 69.18 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.381 1.072 . . . . 0.0 111.416 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -86.19 33.6 0.62 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.114 0.966 . . . . 0.0 111.465 -174.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -143.88 144.89 31.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 125.149 1.38 . . . . 0.0 109.161 -175.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 m -105.59 113.7 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.901 1.28 . . . . 0.0 107.59 169.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -99.81 124.74 45.4 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.606 1.162 . . . . 0.0 109.561 -178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.19 127.83 93.6 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.84 -30.66 33.2 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 122.602 2.201 . . . . 0.0 113.042 -172.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -89.1 -41.89 12.03 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.37 0.532 . . . . 0.0 111.41 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -98.93 -19.01 17.56 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.353 0.661 . . . . 0.0 111.473 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.5 m 63.27 26.31 15.07 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.778 1.231 . . . . 0.0 112.218 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -90.54 138.1 31.83 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.24 1.416 . . . . 0.0 107.901 171.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.6 m -108.78 151.52 26.11 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.454 0.701 . . . . 0.0 111.291 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 m -136.53 139.69 42.42 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 169.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.7 m -75.25 139.96 42.9 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.468 0.307 . . . . 0.0 111.496 -174.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.08 -48.57 65.17 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 171.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -75.43 145.17 41.74 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.568 1.947 . . . . 0.0 109.326 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -129.33 162.19 28.55 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.764 0.826 . . . . 0.0 111.505 -173.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.69 -40.91 93.96 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.536 1.134 . . . . 0.0 110.837 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 p -62.33 -47.39 84.45 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.757 0.823 . . . . 0.0 110.712 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 -49.07 -50.24 37.71 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.855 1.262 . . . . 0.0 110.99 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.2 m -70.42 -46.62 63.57 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.518 0.327 . . . . 0.0 111.504 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -56.57 -37.3 70.39 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.583 1.153 . . . . 0.0 111.756 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.31 -37.23 62.06 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.689 0.796 . . . . 0.0 112.107 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -99.82 15.25 27.56 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.118 0.967 . . . . 0.0 111.71 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 58.47 50.86 8.73 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.312 1.445 . . . . 0.0 110.437 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.6 mt -131.3 173.55 10.95 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.802 2.041 . . . . 0.0 107.621 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -131.48 145.84 51.96 Favored 'General case' 0 C--N 1.338 0.099 0 C-N-CA 124.068 0.947 . . . . 0.0 109.846 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.7 tp -74.94 125.52 29.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.947 0.899 . . . . 0.0 109.59 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -89.18 103.06 15.71 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 174.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -49.9 -27.3 5.04 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.746 1.618 . . . . 0.0 114.549 -172.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -78.06 -44.29 26.77 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.152 0.581 . . . . 0.0 110.753 -170.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.5 p -105.78 -14.14 15.33 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.051 1.34 . . . . 0.0 112.002 -177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . 0.251 9.8 m 47.04 53.6 10.38 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 126.296 1.838 . . . . 0.0 111.964 -169.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -107.59 158.44 17.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.993 1.717 . . . . 0.0 107.191 168.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 73.2 m -89.43 122.13 32.33 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -125.01 -176.96 3.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.151 1.78 . . . . 0.0 108.612 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -49.16 147.53 5.01 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 124.174 0.989 . . . . 0.0 112.017 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 N--CA 1.455 -0.742 0 C-N-CA 123.555 2.837 . . . . 0.0 109.724 177.951 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.13 173.68 48.7 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -75.89 141.93 24.7 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.881 3.054 . . . . 0.0 109.956 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.0 m -68.89 -54.52 15.11 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.08 0.552 . . . . 0.0 110.013 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.8 p -88.83 -148.9 0.17 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.535 0.734 . . . . 0.0 109.023 171.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -71.07 -78.74 0.07 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.457 0.571 . . . . 0.0 111.528 -172.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -150.89 -47.29 0.12 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.071 0.548 . . . . 0.0 111.885 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -80.53 59.51 3.56 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.707 0.803 . . . . 0.0 109.579 176.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -87.16 37.26 0.76 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.081 0.952 . . . . 0.0 111.957 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -65.18 -32.47 74.17 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.721 0.809 . . . . 0.0 111.814 -173.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.42 -22.11 62.76 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.41 1.084 . . . . 0.0 111.387 176.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -89.92 143.27 26.94 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.482 0.713 . . . . 0.0 109.672 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.45 125.73 73.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 169.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -99.88 132.29 45.33 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.696 1.198 . . . . 0.0 110.417 -170.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.86 122.99 84.86 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-O 118.54 -0.743 . . . . 0.0 109.768 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.03 -37.66 57.62 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.896 3.064 . . . . 0.0 115.04 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -89.78 -48.78 7.03 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.701 0.8 . . . . 0.0 111.559 -169.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.6 p -99.09 -18.12 17.88 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.676 0.791 . . . . 0.0 112.04 -170.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.2 m 61.67 23.95 14.16 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.955 1.302 . . . . 0.0 112.79 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -90.06 135.51 33.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 169.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.11 157.76 16.78 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.23 0.538 . . . . 0.0 112.412 -175.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -137.88 144.31 41.29 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.663 1.585 . . . . 0.0 106.736 169.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.4 m -85.18 135.05 34.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 122.35 0.26 . . . . 0.0 111.426 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -63.66 -38.62 91.82 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.179 173.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -85.35 107.6 17.43 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.761 1.224 . . . . 0.0 108.254 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -99.93 166.41 11.07 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.78 0.832 . . . . 0.0 111.383 -174.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.02 -44.21 82.65 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.176 0.991 . . . . 0.0 110.01 171.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.8 m -58.56 -45.38 89.12 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.563 0.745 . . . . 0.0 110.839 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -62.74 -42.72 99.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.36 0.664 . . . . 0.0 110.972 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.9 m -62.81 -47.98 81.08 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.812 175.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -62.96 -33.17 74.8 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.154 0.982 . . . . 0.0 112.39 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.74 -26.13 66.98 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.937 0.495 . . . . 0.0 111.506 172.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -103.54 14.05 32.09 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.468 1.507 . . . . 0.0 111.383 174.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 59.83 49.67 7.72 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.41 1.884 . . . . 0.0 111.7 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.8 mt -140.1 176.72 8.52 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.925 1.69 . . . . 0.0 108.702 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -127.24 149.3 50.06 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 124.887 1.275 . . . . 0.0 109.018 176.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -85.97 137.02 33.03 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.569 0.748 . . . . 0.0 111.012 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -89.54 109.98 20.87 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 168.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -88.2 49.14 1.74 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.355 0.525 . . . . 0.0 110.529 -174.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -125.55 -51.81 1.6 Allowed 'General case' 0 C--N 1.339 0.121 0 C-N-CA 125.348 1.459 . . . . 0.0 107.672 171.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 t -110.04 -10.44 14.7 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.396 1.079 . . . . 0.0 112.231 176.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 56.3 m 59.21 55.71 4.2 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 125.051 1.34 . . . . 0.0 112.38 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -118.79 155.19 31.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.472 1.509 . . . . 0.0 107.522 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.9 m -88.99 145.52 25.45 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -140.24 163.69 32.07 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.773 1.629 . . . . 0.0 109.684 -175.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 143.8 91.48 Favored Pre-proline 0 CA--C 1.536 0.43 0 C-N-CA 123.382 0.673 . . . . 0.0 109.704 -178.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo . . . . . 0 N--CA 1.456 -0.732 0 C-N-CA 123.774 2.983 . . . . 0.0 111.089 -174.924 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.7 m . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.604 0.24 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.82 -175.37 39.74 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.637 1.113 . . . . 0.0 110.593 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.81 155.46 39.23 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.908 3.072 . . . . 0.0 110.477 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.2 m -67.31 -54.6 19.28 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.461 0.704 . . . . 0.0 110.389 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 t -88.2 -153.48 0.24 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.198 0.999 . . . . 0.0 108.802 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -60.93 -59.18 5.78 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.843 0.857 . . . . 0.0 109.938 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -150.87 -61.63 0.19 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.996 0.918 . . . . 0.0 109.155 173.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -84.53 67.16 9.84 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.316 1.047 . . . . 0.0 110.41 -174.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -61.97 2.15 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.979 0.912 . . . . 0.0 111.233 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m170 70.09 -66.28 0.28 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.51 1.924 . . . . 0.0 112.425 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.4 mt -85.09 42.76 0.96 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.809 1.244 . . . . 0.0 111.312 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -141.35 155.76 45.9 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.727 1.211 . . . . 0.0 109.924 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 m -116.16 143.69 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 125.529 1.532 . . . . 0.0 107.034 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -125.39 143.24 51.07 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.674 1.19 . . . . 0.0 109.421 -176.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -103.15 112.71 65.93 Favored Pre-proline 0 N--CA 1.452 -0.341 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.12 -11.18 29.89 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.242 1.961 . . . . 0.0 112.662 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -89.46 -14.08 36.13 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.988 0.915 . . . . 0.0 112.32 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.3 p -132.12 -22.53 2.27 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.263 1.025 . . . . 0.0 111.917 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.5 m 75.1 8.21 4.07 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 127.031 2.132 . . . . 0.0 112.438 -172.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -84.28 156.44 21.95 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.0 m -132.92 165.01 25.66 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.998 0.919 . . . . 0.0 111.218 -175.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.6 t -140.25 153.97 46.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.514 1.525 . . . . 0.0 106.916 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.3 m -74.85 142.22 44.17 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -63.9 -48.57 76.1 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 173.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -77.25 110.76 12.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.175 0.99 . . . . 0.0 108.666 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.3 p -99.92 160.96 13.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.072 0.949 . . . . 0.0 110.091 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.68 -26.61 68.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.172 0.589 . . . . 0.0 111.596 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.6 t -59.23 -47.46 85.24 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.584 0.753 . . . . 0.0 110.981 174.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -58.87 -49.23 78.53 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.1 m -56.38 -46.82 79.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 119.465 -0.303 . . . . 0.0 110.668 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.63 -41.4 97.45 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.098 0.959 . . . . 0.0 111.489 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.68 -25.27 66.25 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.97 0.508 . . . . 0.0 111.902 173.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -99.18 7.16 46.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.19 1.396 . . . . 0.0 111.175 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.81 49.8 5.85 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.905 1.682 . . . . 0.0 110.732 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.3 mt -140.39 176.81 8.47 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.718 2.407 . . . . 0.0 108.131 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -129.25 154.99 46.27 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.673 1.189 . . . . 0.0 108.893 170.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.0 tp -82.88 137.48 34.24 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.864 0.866 . . . . 0.0 110.9 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -89.62 111.3 22.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -57.29 -25.12 58.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.748 1.219 . . . . 0.0 113.444 -173.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -79.13 -57.97 3.47 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.1 0.56 . . . . 0.0 110.594 -170.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.6 t -93.47 -20.49 20.24 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.966 0.906 . . . . 0.0 111.574 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.3 m 59.78 57.32 3.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.202 1.401 . . . . 0.0 110.97 -173.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -120.52 151.45 39.36 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.655 1.982 . . . . 0.0 106.327 169.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.9 m -88.83 119.3 29.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.22 -177.64 3.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.306 1.842 . . . . 0.0 109.516 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 148.02 2.25 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 124.3 1.04 . . . . 0.0 112.481 -178.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 N--CA 1.452 -0.937 0 C-N-CA 123.01 2.473 . . . . 0.0 109.814 -178.61 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.23 163.27 37.45 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 171.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -49.78 138.79 33.14 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 124.253 3.302 . . . . 0.0 113.345 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.1 m -64.03 -79.95 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.613 0.765 . . . . 0.0 109.633 173.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -90.57 171.47 9.38 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.512 0.725 . . . . 0.0 110.144 173.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.18 -75.57 0.1 Allowed 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -169.507 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 70.7 ttt180 -151.95 -72.96 0.15 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.717 1.207 . . . . 0.0 108.732 -170.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -58.47 -30.03 66.65 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.583 1.953 . . . . 0.0 111.129 -174.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -72.44 68.08 0.77 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.011 1.725 . . . . 0.0 109.039 169.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -76.81 -19.89 57.03 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.365 1.466 . . . . 0.0 111.913 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -82.89 46.99 1.15 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.718 1.207 . . . . 0.0 110.885 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -136.34 146.46 46.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.009 1.723 . . . . 0.0 108.719 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.5 m -126.57 153.68 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.974 1.709 . . . . 0.0 107.718 171.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -140.22 140.38 35.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.649 0.78 . . . . 0.0 110.782 -169.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.71 119.42 75.34 Favored Pre-proline 0 CA--C 1.535 0.373 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 169.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.41 -20.04 28.01 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.008 2.472 . . . . 0.0 113.126 -172.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -91.37 -52.23 4.9 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.872 0.869 . . . . 0.0 110.887 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.5 p -99.21 -7.29 26.71 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.898 0.879 . . . . 0.0 112.537 -170.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m 69.41 18.59 7.86 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.145 1.378 . . . . 0.0 112.536 173.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.2 121.61 18.69 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.4 m -99.9 132.85 45.0 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.5 1.12 . . . . 0.0 109.502 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.4 m -141.23 143.47 34.17 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.406 0.682 . . . . 0.0 110.015 172.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -83.79 136.73 34.04 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.967 0.507 . . . . 0.0 110.255 169.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.84 -47.8 79.33 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.558 0.743 . . . . 0.0 109.228 173.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -74.6 107.02 6.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.5 p -99.9 167.17 10.69 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.117 0.967 . . . . 0.0 110.437 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.85 -33.62 76.43 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 122.922 0.489 . . . . 0.0 111.096 175.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 p -61.89 -41.55 98.03 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.456 0.702 . . . . 0.0 110.791 170.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.99 37.45 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 174.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.16 -40.99 91.86 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.681 0.792 . . . . 0.0 112.019 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -63.07 -24.63 67.99 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.959 0.904 . . . . 0.0 111.807 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.01 -29.48 67.28 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.515 0.598 . . . . 0.0 111.707 171.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -99.81 8.86 43.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.009 1.323 . . . . 0.0 111.323 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 55.78 45.53 24.16 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.33 1.452 . . . . 0.0 111.129 -171.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.5 mt -121.95 171.11 9.17 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.826 1.651 . . . . 0.0 108.564 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -128.31 145.69 50.99 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.377 1.071 . . . . 0.0 109.458 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 tp -79.71 136.4 36.77 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.984 0.914 . . . . 0.0 110.935 -174.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -89.46 109.97 20.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -50.17 -34.78 23.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.089 1.356 . . . . 0.0 113.743 -173.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -78.82 -51.38 9.81 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.142 0.428 . . . . 0.0 111.2 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 p -89.11 -23.07 22.58 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.225 0.61 . . . . 0.0 111.079 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.9 m 55.29 55.09 7.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.905 1.682 . . . . 0.0 110.733 -170.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -116.03 153.64 31.31 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.497 1.919 . . . . 0.0 107.478 170.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.8 m -89.51 134.92 33.88 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -140.05 169.38 17.8 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.801 1.24 . . . . 0.0 110.02 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -54.81 132.54 66.1 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 124.571 1.148 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo . . . . . 0 N--CA 1.457 -0.635 0 C-N-CA 124.059 3.172 . . . . 0.0 112.313 172.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.09 143.12 19.45 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 171.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.62 137.28 27.31 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 122.915 2.41 . . . . 0.0 110.146 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.9 m -68.34 -48.81 63.87 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.798 0.439 . . . . 0.0 110.062 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.2 p -82.38 175.81 9.94 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.286 1.035 . . . . 0.0 111.465 -177.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -90.03 -95.04 0.11 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.228 1.011 . . . . 0.0 111.229 -169.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 -150.16 -56.88 0.18 Allowed 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.527 1.131 . . . . 0.0 109.044 -174.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 66.5 mtp85 -55.27 -41.28 72.04 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 169.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -81.37 56.35 2.88 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.065 1.346 . . . . 0.0 109.45 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -84.61 9.72 12.99 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.461 0.704 . . . . 0.0 110.645 169.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -85.07 44.72 1.1 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.958 1.703 . . . . 0.0 108.917 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -147.38 156.47 42.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.969 1.708 . . . . 0.0 108.565 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.7 m -134.98 157.63 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.518 1.527 . . . . 0.0 108.078 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -140.1 139.02 35.75 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.878 0.871 . . . . 0.0 110.08 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -71.67 120.5 80.34 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 123.836 0.854 . . . . 0.0 109.743 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.21 -32.81 51.96 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.141 3.227 . . . . 0.0 115.584 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -89.55 -50.0 6.34 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.117 0.567 . . . . 0.0 111.307 -170.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.5 p -99.15 -13.81 19.62 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.002 0.921 . . . . 0.0 112.336 -170.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m 65.26 26.76 12.2 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.65 1.18 . . . . 0.0 111.582 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -79.01 120.11 23.12 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.3 m -98.68 141.88 30.94 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.578 0.751 . . . . 0.0 110.443 -177.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.3 m -140.31 146.51 38.61 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.87 1.268 . . . . 0.0 108.32 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.5 m -69.2 141.91 54.39 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.751 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.35 -44.27 59.1 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.309 1.043 . . . . 0.0 109.573 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -82.39 128.53 34.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.751 1.62 . . . . 0.0 109.35 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.4 p -113.0 158.46 20.25 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.745 1.218 . . . . 0.0 110.489 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.72 -28.82 69.69 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 123.771 0.828 . . . . 0.0 112.225 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 p -57.82 -47.22 83.26 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.659 0.783 . . . . 0.0 111.439 174.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -59.68 -48.85 80.02 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 122.856 0.462 . . . . 0.0 110.079 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.0 m -59.01 -47.5 85.0 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.983 0.513 . . . . 0.0 110.903 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -60.26 -33.71 72.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.239 1.416 . . . . 0.0 111.715 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.76 69.31 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 174.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -99.73 12.74 35.85 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.301 1.04 . . . . 0.0 110.955 174.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 59.29 46.38 12.83 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.356 1.462 . . . . 0.0 110.929 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.5 mt -129.03 176.38 7.93 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.631 1.972 . . . . 0.0 107.868 174.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -132.66 151.81 51.86 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.419 1.087 . . . . 0.0 109.397 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -72.86 134.1 44.7 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.9 0.88 . . . . 0.0 110.32 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -89.77 117.52 28.68 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 169.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -68.03 -16.5 64.06 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -171.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -79.52 -58.44 3.2 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.721 0.691 . . . . 0.0 110.422 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 t -102.95 -10.5 18.94 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.835 0.854 . . . . 0.0 112.44 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.8 m 57.74 55.72 5.3 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.636 1.175 . . . . 0.0 111.813 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -122.26 159.28 27.68 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.337 1.855 . . . . 0.0 106.961 170.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.5 m -89.26 133.97 34.24 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -177.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -140.0 155.85 46.9 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 125.043 1.337 . . . . 0.0 109.297 -175.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -65.9 141.16 97.49 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 122.498 0.319 . . . . 0.0 110.189 -177.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo . . . . . 0 N--CA 1.455 -0.752 0 C-N-CA 123.438 2.759 . . . . 0.0 111.192 -179.05 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.6 m . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 121.099 0.476 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.15 175.97 23.67 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 172.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -68.38 152.99 75.06 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.281 2.654 . . . . 0.0 109.956 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.3 m -65.06 -56.84 10.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.517 0.727 . . . . 0.0 110.027 -174.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.0 m -89.36 64.88 6.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.02 0.528 . . . . 0.0 109.872 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -76.42 76.78 3.16 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.225 0.61 . . . . 0.0 109.456 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -144.51 -147.26 0.21 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.102 1.761 . . . . 0.0 106.511 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -55.9 -24.88 40.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.964 0.906 . . . . 0.0 110.296 168.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -74.78 52.29 0.52 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.79 2.436 . . . . 0.0 111.468 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -66.88 -10.81 52.49 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.45 1.1 . . . . 0.0 111.11 169.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -55.33 -24.17 27.57 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.06 1.744 . . . . 0.0 110.996 170.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -88.72 133.75 34.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 175.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -126.13 168.08 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.727 1.611 . . . . 0.0 108.916 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -128.13 137.16 51.99 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.507 1.123 . . . . 0.0 110.36 -169.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.39 121.03 84.12 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 169.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.03 -23.12 46.86 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.38 2.72 . . . . 0.0 113.35 -170.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -89.5 -47.01 8.27 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.541 0.736 . . . . 0.0 111.094 -175.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.3 p -99.21 -17.58 18.06 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.642 0.777 . . . . 0.0 112.301 -170.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.0 m 63.58 29.75 15.14 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.661 1.184 . . . . 0.0 111.847 -174.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -82.47 133.72 35.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 173.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.3 m -99.03 132.63 44.19 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.493 0.717 . . . . 0.0 109.544 -176.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.8 p -141.38 142.13 33.76 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.14 0.976 . . . . 0.0 110.287 176.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 97.2 m -73.73 133.56 43.34 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.892 0.477 . . . . 0.0 111.196 170.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -66.02 -43.5 87.47 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.076 0.951 . . . . 0.0 109.573 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -76.22 136.01 39.7 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.692 1.197 . . . . 0.0 109.365 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.3 p -122.9 159.28 28.55 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.656 1.182 . . . . 0.0 110.461 -175.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -63.44 -30.81 71.88 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.942 172.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.6 m -59.83 -50.15 74.92 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.669 0.788 . . . . 0.0 110.68 173.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -57.74 -47.68 81.78 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.885 0.874 . . . . 0.0 110.518 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.1 m -62.16 -45.94 91.19 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.791 0.437 . . . . 0.0 111.353 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.73 -39.04 92.84 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 124.747 1.219 . . . . 0.0 111.58 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.51 -34.01 64.25 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.783 0.433 . . . . 0.0 111.211 172.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -99.23 17.73 19.28 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.143 1.377 . . . . 0.0 111.018 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 61.04 43.98 10.77 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.069 1.748 . . . . 0.0 112.566 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.0 mt -139.42 179.36 6.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.345 1.858 . . . . 0.0 108.226 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -134.31 149.79 50.92 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.787 0.835 . . . . 0.0 109.583 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.8 tp -76.11 126.06 30.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.504 0.721 . . . . 0.0 110.187 -177.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -89.32 98.54 11.82 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 168.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.48 -14.46 19.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.294 1.037 . . . . 0.0 113.418 -169.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -78.28 -46.02 21.3 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.315 -0.865 . . . . 0.0 109.449 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.3 p -90.01 -23.48 21.48 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.676 1.191 . . . . 0.0 111.507 177.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.6 m 52.43 47.61 24.36 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.975 2.11 . . . . 0.0 111.162 -168.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -121.0 157.77 29.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.026 1.73 . . . . 0.0 107.611 171.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.12 126.26 35.38 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -129.92 173.99 10.17 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.355 1.462 . . . . 0.0 109.379 -177.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 143.28 24.87 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 123.906 0.882 . . . . 0.0 111.668 -176.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 C-N-CA 122.629 2.219 . . . . 0.0 111.132 -173.387 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -123.12 177.13 16.62 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.534 1.54 . . . . 0.0 111.066 -176.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.7 144.18 58.88 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 124.199 3.266 . . . . 0.0 111.435 -171.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.9 m -61.39 -58.46 8.14 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.605 0.762 . . . . 0.0 110.214 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.1 m -74.2 158.38 34.23 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.814 0.446 . . . . 0.0 110.21 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.91 -42.51 3.08 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.677 1.191 . . . . 0.0 111.766 -174.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -65.71 0.96 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.284 1.034 . . . . 0.0 108.864 176.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -86.04 57.58 4.56 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.478 0.711 . . . . 0.0 110.126 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -90.8 -143.18 0.17 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.659 1.584 . . . . 0.0 109.331 172.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.1 m80 79.56 -51.67 0.41 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 126.189 1.796 . . . . 0.0 111.946 172.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.32 -11.12 38.65 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.307 1.443 . . . . 0.0 112.962 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.33 141.52 28.47 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.827 0.74 . . . . 0.0 112.144 -172.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.7 123.75 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 168.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -114.02 142.89 45.6 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.625 0.77 . . . . 0.0 111.698 -167.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.46 129.42 92.54 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 123.926 0.89 . . . . 0.0 110.207 -174.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -68.7 -11.27 31.44 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.953 3.102 . . . . 0.0 114.358 -172.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -117.5 -51.55 2.5 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 124.143 0.977 . . . . 0.0 111.268 -177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.8 p -99.21 -1.89 38.08 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -169.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.4 m 63.99 13.84 7.99 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.871 1.268 . . . . 0.0 113.954 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -72.89 135.87 45.18 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.652 0.66 . . . . 0.0 109.497 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.8 m -98.67 134.02 42.18 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.082 0.953 . . . . 0.0 109.436 -169.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 p -140.77 136.92 32.99 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.757 1.223 . . . . 0.0 109.096 175.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.7 m -88.26 144.74 26.25 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 122.871 0.468 . . . . 0.0 111.798 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -58.86 -46.2 88.32 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.576 1.15 . . . . 0.0 109.81 173.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -75.77 107.51 7.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.1 p -101.05 164.12 11.96 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.998 0.919 . . . . 0.0 111.564 -174.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.78 -34.85 65.64 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.435 1.094 . . . . 0.0 110.895 169.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.3 m -62.03 -47.49 84.51 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.95 0.9 . . . . 0.0 111.29 177.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -63.38 -45.08 92.75 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 122.916 0.486 . . . . 0.0 110.64 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.5 m -58.46 -45.74 88.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.3 0.24 . . . . 0.0 110.58 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.98 -41.65 92.47 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.584 1.154 . . . . 0.0 111.534 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.22 64.46 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.207 0.603 . . . . 0.0 111.792 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -99.1 13.78 31.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.981 1.313 . . . . 0.0 111.308 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 55.69 50.88 13.43 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 125.988 1.715 . . . . 0.0 112.31 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -140.28 176.4 8.8 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 127.291 2.236 . . . . 0.0 107.075 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -137.56 152.34 49.33 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 170.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 tp -81.32 139.4 35.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.197 0.999 . . . . 0.0 111.26 -170.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -89.37 115.62 26.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 167.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -64.18 -20.63 66.14 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -169.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.71 -58.71 3.05 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.538 0.735 . . . . 0.0 110.955 -172.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 t -98.2 -10.77 23.55 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.483 0.713 . . . . 0.0 111.842 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.5 m 59.01 51.54 7.1 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.036 1.334 . . . . 0.0 112.032 177.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -111.91 149.85 31.3 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 75.7 m -89.0 127.1 35.66 Favored 'General case' 0 C--N 1.338 0.08 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -137.05 -170.09 2.63 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.994 1.317 . . . . 0.0 109.972 -174.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -42.81 132.53 3.01 Favored Pre-proline 0 CA--C 1.539 0.527 0 C-N-CA 125.141 1.376 . . . . 0.0 112.307 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo . . . . . 0 N--CA 1.453 -0.861 0 C-N-CA 124.176 3.25 . . . . 0.0 112.886 173.264 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.95 169.8 34.18 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.72 126.77 23.52 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 124.546 3.497 . . . . 0.0 112.022 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 m -69.75 -49.38 53.63 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.268 0.627 . . . . 0.0 110.02 -177.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.5 p -90.01 22.19 3.33 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.78 1.232 . . . . 0.0 111.855 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 51.19 -112.52 0.64 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.953 1.701 . . . . 0.0 111.154 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -135.0 63.1 1.63 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.031 1.332 . . . . 0.0 107.716 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -136.82 -68.14 0.49 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.901 1.28 . . . . 0.0 107.866 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -90.11 70.21 7.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.28 1.032 . . . . 0.0 108.585 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -64.56 -15.23 60.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.267 1.427 . . . . 0.0 111.829 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.36 -10.81 26.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.084 1.353 . . . . 0.0 112.048 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -89.22 146.3 24.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.175 0.99 . . . . 0.0 109.294 175.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.57 145.52 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 125.103 1.361 . . . . 0.0 108.451 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -105.09 151.29 24.17 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.847 1.259 . . . . 0.0 111.299 -169.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -109.08 110.4 60.7 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 125.44 1.496 . . . . 0.0 107.422 169.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -77.22 2.15 7.96 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.96 2.44 . . . . 0.0 113.107 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -89.44 -44.94 9.8 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.822 0.849 . . . . 0.0 109.843 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.1 p -105.09 -26.6 12.04 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.898 1.279 . . . . 0.0 111.721 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m 84.56 8.75 0.46 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.013 2.125 . . . . 0.0 111.671 -171.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -68.89 155.74 39.71 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.7 m -127.65 155.28 44.15 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.62 0.768 . . . . 0.0 109.507 169.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -139.14 142.98 38.02 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.818 1.247 . . . . 0.0 108.403 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.0 m -73.47 127.76 33.61 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.153 0.581 . . . . 0.0 111.291 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.79 -44.14 96.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.477 1.111 . . . . 0.0 109.579 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -80.36 111.63 16.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.75 1.22 . . . . 0.0 108.538 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.4 p -103.37 170.84 7.71 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.391 1.076 . . . . 0.0 111.121 -175.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -58.92 -39.43 81.53 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.868 0.867 . . . . 0.0 110.328 169.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -62.72 -43.7 98.12 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.015 0.926 . . . . 0.0 110.829 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -59.58 -50.42 73.97 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.754 0.822 . . . . 0.0 110.517 177.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.6 m -63.11 -45.29 92.71 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.271 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -59.66 -40.9 89.27 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.481 1.112 . . . . 0.0 111.36 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.91 -30.58 69.14 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.249 0.62 . . . . 0.0 111.286 173.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -99.01 18.95 16.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.396 1.078 . . . . 0.0 111.093 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 59.16 43.49 17.14 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.368 1.867 . . . . 0.0 113.009 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.7 mt -140.17 -177.64 5.1 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.431 1.892 . . . . 0.0 108.167 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -130.42 149.99 51.84 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.69 0.796 . . . . 0.0 109.698 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 tp -81.27 136.9 35.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.284 1.034 . . . . 0.0 110.674 -175.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -89.8 111.21 22.15 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 168.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -62.3 -16.29 53.08 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -174.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -79.7 -56.97 3.9 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.786 0.721 . . . . 0.0 110.218 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -89.47 -22.92 22.24 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.789 0.835 . . . . 0.0 111.755 -176.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.7 m 58.88 52.51 6.44 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.092 1.757 . . . . 0.0 110.826 -169.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -121.92 154.2 37.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.962 1.705 . . . . 0.0 107.592 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 74.2 m -89.21 137.95 31.86 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -140.23 158.52 43.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.013 1.325 . . . . 0.0 109.737 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -73.4 131.39 82.84 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo . . . . . 0 N--CA 1.456 -0.726 0 C-N-CA 123.241 2.627 . . . . 0.0 110.687 -178.206 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 94.7 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.46 99.26 0.68 Allowed Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.906 1.241 . . . . 0.0 110.011 -176.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -47.31 131.28 18.22 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 124.505 3.47 . . . . 0.0 112.733 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.1 m -70.52 -52.78 19.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.633 0.773 . . . . 0.0 110.341 -175.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -82.44 -178.28 7.0 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.835 0.854 . . . . 0.0 110.911 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.68 -170.13 0.99 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.771 1.228 . . . . 0.0 110.651 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -88.14 -36.28 16.95 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.568 1.147 . . . . 0.0 108.033 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -50.11 -45.47 52.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.617 1.567 . . . . 0.0 109.794 168.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.43 58.48 1.71 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.749 2.019 . . . . 0.0 110.246 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -70.13 -19.22 63.23 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.581 1.552 . . . . 0.0 112.805 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.7 -9.12 48.53 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.304 1.042 . . . . 0.0 112.267 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -89.3 142.87 27.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.085 0.954 . . . . 0.0 108.994 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.19 163.16 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.525 1.53 . . . . 0.0 108.139 171.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -140.03 139.17 35.92 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.759 0.824 . . . . 0.0 109.705 -175.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.93 121.87 78.08 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.762 -178.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.63 -42.4 29.64 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 124.381 3.387 . . . . 0.0 114.644 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -93.0 -49.64 5.92 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.6 0.76 . . . . 0.0 111.894 -170.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -99.0 -12.08 20.93 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.9 m 69.51 18.72 7.71 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.805 1.242 . . . . 0.0 113.761 172.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -79.45 135.41 36.66 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.5 m -99.38 136.52 39.21 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 124.054 0.941 . . . . 0.0 110.136 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.8 p -141.38 146.47 36.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.117 0.967 . . . . 0.0 109.904 172.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.5 m -79.51 137.2 37.11 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.762 0.425 . . . . 0.0 111.0 170.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -65.13 -46.82 79.38 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 171.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -76.17 123.51 25.96 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.06 0.944 . . . . 0.0 108.946 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.9 p -116.97 167.22 11.33 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.416 1.086 . . . . 0.0 111.243 -174.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -56.53 -38.08 71.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.479 1.112 . . . . 0.0 110.965 172.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.7 p -64.64 -46.45 82.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.453 0.701 . . . . 0.0 111.284 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -60.21 -46.34 90.07 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.156 0.582 . . . . 0.0 110.689 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.66 -46.82 83.89 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.153 0.181 . . . . 0.0 111.183 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -60.05 -39.51 86.23 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.433 1.093 . . . . 0.0 111.303 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.17 64.88 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.465 0.706 . . . . 0.0 111.827 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -98.68 8.93 44.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.549 1.14 . . . . 0.0 110.925 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 64.16 44.93 4.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.006 1.723 . . . . 0.0 111.491 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -134.45 172.87 12.3 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.244 1.818 . . . . 0.0 108.503 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -126.26 128.02 46.53 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.986 0.914 . . . . 0.0 109.716 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.3 124.62 23.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.722 0.409 . . . . 0.0 110.243 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -89.14 89.75 8.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 169.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.74 -16.37 0.07 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.958 2.103 . . . . 0.0 116.35 -175.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -78.42 -42.02 31.27 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 119.128 0.877 . . . . 0.0 110.273 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -109.04 -11.46 14.95 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.522 1.129 . . . . 0.0 111.915 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.2 m 50.17 58.61 5.29 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.739 2.016 . . . . 0.0 112.215 -173.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -126.0 153.32 44.52 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 125.534 1.534 . . . . 0.0 107.985 170.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -89.17 126.42 35.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.246 0.618 . . . . 0.0 109.533 -174.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -110.63 145.79 37.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.414 1.486 . . . . 0.0 111.156 -172.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -78.04 130.63 72.01 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 125.417 1.487 . . . . 0.0 109.429 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 N--CA 1.458 -0.592 0 C-N-CA 123.209 2.606 . . . . 0.0 110.038 177.83 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.8 m . . . . . 0 CA--C 1.531 0.214 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.58 -164.22 10.88 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 -173.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -53.31 142.52 56.85 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 124.442 3.428 . . . . 0.0 112.998 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.4 m -73.84 -75.24 0.16 Allowed 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.749 0.82 . . . . 0.0 110.232 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 t -90.39 -155.75 0.39 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.944 0.898 . . . . 0.0 110.257 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.7 172.16 6.73 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.521 1.128 . . . . 0.0 111.125 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -88.59 54.5 3.06 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 mtp-105 -155.98 -57.22 0.09 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 128.541 2.736 . . . . 0.0 105.488 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.0 69.12 0.96 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.942 2.097 . . . . 0.0 109.412 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -83.0 -2.34 55.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.93 1.292 . . . . 0.0 111.19 171.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -84.39 48.69 1.54 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.371 1.469 . . . . 0.0 108.85 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -140.89 149.94 42.56 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.158 1.783 . . . . 0.0 108.282 -174.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.5 m -129.16 151.71 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 125.67 1.588 . . . . 0.0 108.786 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -123.67 135.97 54.21 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.811 1.244 . . . . 0.0 109.526 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.21 122.44 82.87 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 123.475 0.71 . . . . 0.0 109.64 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -50.22 -31.44 29.12 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 124.195 3.263 . . . . 0.0 115.682 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -99.87 -49.81 4.22 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.769 0.827 . . . . 0.0 111.756 -171.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.3 p -99.22 -17.41 18.13 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.673 0.789 . . . . 0.0 112.365 -170.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.1 m 64.52 20.21 12.07 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.989 1.316 . . . . 0.0 112.734 -174.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -66.73 130.79 44.34 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 169.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 68.5 m -99.4 144.9 27.98 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.067 0.547 . . . . 0.0 110.539 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.4 m -140.75 156.47 46.18 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.228 1.411 . . . . 0.0 107.855 171.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.3 m -69.51 146.31 51.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.849 0.357 . . . . 0.0 110.603 171.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -64.02 -47.02 81.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.169 0.987 . . . . 0.0 109.225 172.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -84.61 145.51 27.98 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.94 1.296 . . . . 0.0 109.463 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.0 p -134.7 162.08 33.35 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 124.132 0.973 . . . . 0.0 111.188 -171.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -59.14 -37.87 78.3 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 123.971 0.909 . . . . 0.0 110.807 171.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m -62.6 -49.12 76.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.093 0.957 . . . . 0.0 110.809 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -57.76 -47.72 81.7 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.32 1.048 . . . . 0.0 110.856 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.71 -46.32 88.68 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.292 0.237 . . . . 0.0 111.171 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.23 -37.57 83.52 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.922 1.289 . . . . 0.0 111.72 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.66 -36.5 69.62 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.979 0.511 . . . . 0.0 111.129 173.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.69 24.27 8.52 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.84 0.856 . . . . 0.0 112.115 176.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 61.04 42.19 12.89 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.598 1.559 . . . . 0.0 112.963 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -138.31 179.93 6.17 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.992 1.717 . . . . 0.0 108.196 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -134.61 155.89 49.67 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.377 0.671 . . . . 0.0 109.791 173.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.2 tp -83.74 133.75 34.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.326 1.05 . . . . 0.0 111.502 -171.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -89.59 102.89 15.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 104.659 -2.348 . . . . 0.0 104.659 167.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -60.35 -12.87 10.38 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -172.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -79.24 -53.75 6.65 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.524 0.73 . . . . 0.0 109.777 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -89.83 -26.18 20.67 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.438 1.095 . . . . 0.0 111.238 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 69.2 m 60.21 57.42 2.95 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.414 1.886 . . . . 0.0 110.312 -169.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -126.18 154.79 42.73 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.369 1.868 . . . . 0.0 108.46 170.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 84.6 m -89.2 136.19 33.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -176.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -140.23 161.92 36.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.457 1.503 . . . . 0.0 109.764 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -70.66 127.89 91.49 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 C-N-CA 122.843 2.362 . . . . 0.0 109.902 177.205 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 111.177 0.065 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -164.32 131.52 3.22 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.167 0.987 . . . . 0.0 108.371 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 54.74 52.17 12.58 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.57 1.148 . . . . 0.0 110.223 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.82 98.59 2.46 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.07 0.948 . . . . 0.0 110.067 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -133.68 84.51 44.77 Favored Pre-proline 0 CA--C 1.531 0.238 0 C-N-CA 124.742 1.217 . . . . 0.0 108.585 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -55.39 145.87 65.39 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.772 2.982 . . . . 0.0 112.364 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.0 m -66.76 144.79 56.12 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.12 0.568 . . . . 0.0 110.889 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.76 118.39 6.14 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -43.21 135.19 5.99 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 125.038 3.826 . . . . 0.0 113.402 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.8 m -63.06 -61.81 2.13 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 124.465 1.106 . . . . 0.0 111.215 -169.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -84.92 68.88 10.68 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.74 0.816 . . . . 0.0 110.046 -177.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 61.21 -102.86 0.13 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.281 1.433 . . . . 0.0 110.861 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -150.22 -47.01 0.13 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.27 1.428 . . . . 0.0 109.525 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -48.05 -28.97 3.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.93 2.092 . . . . 0.0 114.201 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -71.62 70.72 0.68 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.006 1.322 . . . . 0.0 110.127 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -71.65 -19.22 62.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.297 1.039 . . . . 0.0 111.566 175.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.94 -15.79 62.62 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.559 1.144 . . . . 0.0 111.335 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -89.87 144.81 25.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.127 0.971 . . . . 0.0 109.307 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 m -118.06 157.33 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 125.648 1.579 . . . . 0.0 107.614 169.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -134.32 139.33 45.6 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.703 0.801 . . . . 0.0 110.794 -170.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.1 129.28 93.11 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 123.78 0.832 . . . . 0.0 109.167 176.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -68.93 -27.09 30.94 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.233 2.622 . . . . 0.0 113.919 -169.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -97.98 -47.95 5.33 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.423 0.689 . . . . 0.0 112.138 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.2 p -99.57 -8.65 24.25 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.592 0.757 . . . . 0.0 112.801 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 m 67.19 18.92 10.4 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.707 1.203 . . . . 0.0 113.453 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -81.63 130.27 34.99 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 77.6 m -102.64 144.33 31.17 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.601 0.76 . . . . 0.0 111.834 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -140.59 145.7 37.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.011 1.324 . . . . 0.0 108.767 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.2 m -79.58 140.87 37.02 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.292 0.637 . . . . 0.0 111.984 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -66.72 -46.97 73.81 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.552 0.741 . . . . 0.0 109.191 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -74.41 150.72 39.86 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.294 1.038 . . . . 0.0 109.716 176.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 p -140.0 160.86 38.98 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.934 0.894 . . . . 0.0 111.268 -172.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.11 -31.94 72.45 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.436 0.694 . . . . 0.0 111.127 170.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 p -64.37 -47.99 77.19 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.145 0.578 . . . . 0.0 110.95 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -56.46 -51.98 66.41 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 122.851 0.46 . . . . 0.0 110.314 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.9 m -60.73 -43.28 98.08 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.39 0.276 . . . . 0.0 111.427 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.15 -39.0 88.45 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.949 0.9 . . . . 0.0 111.289 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.03 -24.48 66.21 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.945 0.498 . . . . 0.0 112.088 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -99.27 8.32 44.86 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.033 1.333 . . . . 0.0 110.934 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.67 47.28 8.35 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.98 1.712 . . . . 0.0 110.803 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -140.2 179.69 6.49 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.585 2.354 . . . . 0.0 107.533 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -135.14 163.85 29.0 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.61 0.764 . . . . 0.0 109.055 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 tp -84.96 132.19 34.39 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.313 0.645 . . . . 0.0 110.692 -173.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -89.25 103.07 15.73 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 168.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.31 -6.29 9.48 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -79.26 -55.96 4.7 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.778 0.831 . . . . 0.0 109.283 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.2 p -93.09 -21.5 19.67 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.974 1.309 . . . . 0.0 111.659 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.8 m 57.88 50.42 10.48 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 126.272 1.829 . . . . 0.0 110.904 -169.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.9 mtp-105 -114.39 159.38 20.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.87 1.668 . . . . 0.0 107.835 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.4 m -89.21 125.15 34.95 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -124.35 175.45 7.09 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.907 1.683 . . . . 0.0 109.674 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -53.89 142.93 43.23 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 123.492 0.717 . . . . 0.0 110.684 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.73 113.58 3.69 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.742 2.295 . . . . 0.0 110.044 -172.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -83.24 67.0 9.04 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.918 0.887 . . . . 0.0 108.859 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? . . . . . 0 C--O 1.251 1.167 0 C-N-CA 125.223 1.409 . . . . 0.0 108.063 -172.284 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -121.06 -178.16 3.68 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.425 1.49 . . . . 0.0 108.472 173.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 60.03 78.07 0.29 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.622 1.169 . . . . 0.0 110.804 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 63.79 59.7 1.12 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.214 1.406 . . . . 0.0 111.201 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -95.24 111.48 55.17 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 170.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -82.22 15.43 2.0 Allowed 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 123.006 2.471 . . . . 0.0 112.49 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.6 m -135.12 -169.38 2.36 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 124.884 1.273 . . . . 0.0 108.988 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.34 -166.42 10.77 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -54.69 130.65 41.48 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 124.31 3.34 . . . . 0.0 112.383 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.2 m -67.66 -27.93 67.27 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.795 0.438 . . . . 0.0 110.332 172.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.5 p -71.28 -10.43 59.75 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.274 1.03 . . . . 0.0 112.182 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 78.34 -33.0 0.16 Allowed 'General case' 0 C--N 1.344 0.337 0 C-N-CA 127.192 2.197 . . . . 0.0 113.892 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -89.23 -81.9 0.26 Allowed 'General case' 0 C--N 1.34 0.155 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.9 tpt85 -165.43 99.86 0.71 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 158.7 24.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.507 0.723 . . . . 0.0 111.349 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -146.01 -51.54 0.24 Allowed 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.456 1.103 . . . . 0.0 108.935 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.41 -27.42 67.83 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.506 1.122 . . . . 0.0 111.047 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -89.81 136.06 33.26 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.058 0.943 . . . . 0.0 109.636 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 m -105.34 133.55 49.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 168.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -117.95 139.89 50.51 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 124.148 0.979 . . . . 0.0 110.364 -171.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.87 126.14 62.36 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 124.257 1.023 . . . . 0.0 108.795 176.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.65 -14.95 21.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.082 2.521 . . . . 0.0 113.838 -174.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -89.42 -48.27 7.45 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.978 0.808 . . . . 0.0 110.289 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.7 p -99.43 -13.14 19.67 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.118 0.967 . . . . 0.0 112.17 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.7 m 61.71 31.65 18.51 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.829 1.252 . . . . 0.0 111.795 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -88.8 121.4 31.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.8 m -99.03 138.29 36.34 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.8 m -140.14 137.96 34.85 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.118 0.967 . . . . 0.0 108.444 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 75.5 m -75.53 121.8 22.92 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.145 0.578 . . . . 0.0 110.718 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.04 -39.81 94.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.557 0.743 . . . . 0.0 109.9 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -73.05 120.88 19.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.547 0.739 . . . . 0.0 109.032 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.1 p -114.79 162.2 17.17 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.196 0.998 . . . . 0.0 110.565 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.15 -32.32 62.01 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.809 1.244 . . . . 0.0 111.873 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 m -58.14 -49.0 78.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.162 0.985 . . . . 0.0 111.337 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -61.27 -49.05 78.63 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.406 0.682 . . . . 0.0 109.833 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.8 m -59.37 -46.31 89.0 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.038 0.535 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.45 -39.68 94.15 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.783 0.833 . . . . 0.0 111.106 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.4 -23.59 65.91 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.104 0.561 . . . . 0.0 112.221 173.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -99.08 6.7 46.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.881 1.272 . . . . 0.0 111.142 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.24 48.91 7.66 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 125.558 1.543 . . . . 0.0 110.629 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 mt -140.09 -178.04 5.27 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.758 2.423 . . . . 0.0 107.111 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.3 mm-40 -137.95 155.12 49.21 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.789 0.835 . . . . 0.0 109.803 173.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.3 tp -74.3 125.88 29.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.282 0.633 . . . . 0.0 110.364 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -89.1 98.0 11.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.86 -7.84 9.22 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -169.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -78.88 -55.94 4.77 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.0 p -89.92 -20.79 22.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.572 1.149 . . . . 0.0 111.624 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.7 m 57.58 51.04 10.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.716 2.007 . . . . 0.0 110.916 -169.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -119.62 156.61 30.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.736 1.615 . . . . 0.0 107.941 173.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.6 m -89.31 125.32 35.06 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -139.33 147.81 42.07 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.238 1.415 . . . . 0.0 108.415 -177.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -66.49 143.77 98.35 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-O 119.315 -0.374 . . . . 0.0 111.321 -174.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.494 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 40.9 Cg_endo -68.39 -63.32 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.71 2.274 . . . . 0.0 110.517 177.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 74.9 ttt-85 179.1 87.64 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 176.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.09 -1.433 . . . . 0.0 109.717 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 111.301 0.112 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 -97.69 -14.03 21.13 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.577 1.151 . . . . 0.0 111.099 172.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.23 60.7 4.44 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.743 1.217 . . . . 0.0 109.716 -177.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -163.08 178.42 8.31 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.475 1.11 . . . . 0.0 109.771 -172.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -147.68 77.36 10.4 Favored Pre-proline 0 CA--C 1.537 0.446 0 C-N-CA 124.02 0.928 . . . . 0.0 110.865 -172.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -46.94 129.56 14.93 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 124.581 3.521 . . . . 0.0 113.222 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 m -87.69 176.24 7.51 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.983 0.913 . . . . 0.0 111.169 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.67 171.23 55.0 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 174.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -69.63 146.26 60.47 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.915 3.077 . . . . 0.0 111.904 -173.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.5 m -86.23 -48.61 8.39 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.687 0.795 . . . . 0.0 109.694 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 p -85.32 -79.03 0.24 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.591 1.156 . . . . 0.0 111.191 -173.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.04 -150.22 0.3 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.432 1.093 . . . . 0.0 110.01 -175.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -88.25 -36.4 16.75 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.871 0.76 . . . . 0.0 112.188 -169.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -94.95 43.27 1.09 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.275 1.03 . . . . 0.0 110.153 -177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 21.76 0.2 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -169.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -63.66 -22.13 66.74 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.083 0.856 . . . . 0.0 113.15 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.93 -30.96 71.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.903 0.881 . . . . 0.0 110.844 171.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -89.71 139.82 30.19 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.853 1.261 . . . . 0.0 109.135 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -110.65 131.88 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -119.0 138.92 52.48 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 124.083 0.953 . . . . 0.0 110.853 -169.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -82.68 125.32 76.06 Favored Pre-proline 0 N--CA 1.453 -0.312 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.64 -22.72 23.86 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.67 2.247 . . . . 0.0 113.121 -170.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -89.25 -41.58 12.11 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.867 0.758 . . . . 0.0 111.272 -174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -99.18 -17.87 17.93 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.966 0.906 . . . . 0.0 111.852 -176.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.3 m 68.97 13.1 8.78 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.363 1.465 . . . . 0.0 112.468 -176.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -71.15 124.18 23.86 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 70.8 m -99.39 142.34 31.0 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.894 0.877 . . . . 0.0 109.452 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -140.3 142.42 35.68 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.65 1.18 . . . . 0.0 108.256 173.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.6 m -82.69 130.19 35.08 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 122.522 0.329 . . . . 0.0 111.479 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -67.76 -40.7 84.05 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.357 0.663 . . . . 0.0 109.42 171.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -82.65 147.18 28.68 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.798 1.239 . . . . 0.0 109.741 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.9 p -138.13 163.68 31.06 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.716 0.807 . . . . 0.0 111.345 -171.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.69 -30.05 70.2 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.555 0.742 . . . . 0.0 111.255 174.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.3 p -65.18 -46.29 81.4 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.631 0.372 . . . . 0.0 110.659 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 -61.33 -49.4 77.12 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 122.944 0.498 . . . . 0.0 110.572 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.5 m -57.91 -46.75 84.49 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -63.54 -38.72 92.22 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.23 1.012 . . . . 0.0 112.045 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.72 -27.84 66.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.926 0.49 . . . . 0.0 111.518 172.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -99.45 14.61 29.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.027 1.331 . . . . 0.0 111.244 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 59.88 48.81 8.51 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.791 1.636 . . . . 0.0 111.276 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.4 mt -140.7 -178.08 5.36 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.35 2.26 . . . . 0.0 108.27 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -138.01 147.55 44.29 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.894 0.878 . . . . 0.0 110.295 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 tp -79.48 129.18 34.23 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.807 0.843 . . . . 0.0 110.365 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -89.42 99.87 12.78 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 168.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -52.75 -22.81 5.7 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.727 1.611 . . . . 0.0 113.971 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -78.61 -34.67 46.51 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.543 0.611 . . . . 0.0 110.901 -174.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.8 p -107.9 -17.78 13.97 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.121 1.369 . . . . 0.0 111.561 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.8 m 50.07 43.99 25.77 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.863 2.065 . . . . 0.0 112.425 -169.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -113.33 158.82 20.09 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.468 1.507 . . . . 0.0 107.724 170.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 70.8 m -89.33 144.2 26.26 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -140.15 -174.3 3.89 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.814 2.046 . . . . 0.0 108.783 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -49.94 146.99 7.22 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 124.119 0.968 . . . . 0.0 112.356 -174.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -70.68 76.28 1.52 Allowed 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 124.119 3.213 . . . . 0.0 108.533 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -176.01 -55.89 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 127.159 2.184 . . . . 0.0 106.1 -168.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? . . . . . 0 C--O 1.25 1.116 0 C-N-CA 125.141 1.376 . . . . 0.0 108.017 175.675 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.4 ttp-105 -111.81 -52.72 2.77 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 125.046 1.338 . . . . 0.0 109.527 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -112.15 -174.47 2.47 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.474 1.51 . . . . 0.0 109.568 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.3 mp0 -58.43 116.59 3.74 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.082 0.953 . . . . 0.0 110.042 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -141.23 152.58 64.82 Favored Pre-proline 0 CA--C 1.531 0.229 0 C-N-CA 124.988 1.315 . . . . 0.0 108.61 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.47 80.87 2.18 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.499 2.8 . . . . 0.0 108.925 174.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -65.05 149.09 50.48 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.436 1.094 . . . . 0.0 111.58 -175.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.7 163.06 53.62 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.13 129.81 15.64 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.568 2.846 . . . . 0.0 111.081 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 86.2 m -67.06 -58.35 5.07 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.859 0.864 . . . . 0.0 109.904 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.4 p -78.42 149.72 33.23 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.717 0.807 . . . . 0.0 110.245 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.27 -20.91 66.63 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.17 0.588 . . . . 0.0 111.365 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -89.62 165.66 14.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.796 1.239 . . . . 0.0 110.481 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -75.32 85.94 2.5 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 174.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -57.73 160.24 4.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -171.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -176.83 -41.45 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 128.179 2.591 . . . . 0.0 107.363 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.1 mt -60.28 -35.17 74.93 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.46 1.104 . . . . 0.0 110.426 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -89.25 136.69 32.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.034 0.934 . . . . 0.0 109.15 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.6 m -107.7 129.23 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 169.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -109.11 141.82 40.74 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.509 1.124 . . . . 0.0 110.532 -173.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -99.16 116.4 65.17 Favored Pre-proline 0 N--CA 1.452 -0.335 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -72.85 -4.4 15.31 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.998 2.465 . . . . 0.0 112.911 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -88.59 -45.8 9.58 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 123.463 0.705 . . . . 0.0 109.877 -174.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.1 p -99.79 -32.02 11.23 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.31 1.044 . . . . 0.0 111.512 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.6 m 87.31 1.16 0.47 Allowed 'General case' 0 C--N 1.343 0.309 0 C-N-CA 127.835 2.454 . . . . 0.0 112.271 -169.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -66.42 143.11 57.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 118.523 0.601 . . . . 0.0 109.792 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.8 m -114.87 154.15 29.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.282 1.033 . . . . 0.0 110.03 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -140.28 145.21 37.0 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.183 0.993 . . . . 0.0 108.509 169.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -76.8 124.9 28.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.201 0.6 . . . . 0.0 110.352 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.51 -36.04 79.4 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.959 0.903 . . . . 0.0 110.23 173.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -77.07 116.93 18.15 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -107.8 162.21 14.2 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.183 0.993 . . . . 0.0 110.811 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.5 -35.96 68.61 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.995 0.918 . . . . 0.0 110.712 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 t -62.68 -49.1 76.46 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.837 0.855 . . . . 0.0 110.557 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -57.11 -44.41 83.22 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.195 0.598 . . . . 0.0 110.595 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.5 m -66.18 -46.18 78.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.977 0.511 . . . . 0.0 111.321 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -64.1 -33.78 76.56 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.992 0.917 . . . . 0.0 111.877 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.37 -25.58 67.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.52 0.728 . . . . 0.0 111.978 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -101.13 10.66 40.66 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.625 1.57 . . . . 0.0 111.653 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 59.62 48.91 8.93 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.96 1.704 . . . . 0.0 111.195 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.5 mt -135.52 179.24 6.46 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.234 1.814 . . . . 0.0 108.039 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -132.18 143.82 50.23 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.203 1.001 . . . . 0.0 109.645 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.5 tp -72.47 133.99 45.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.776 0.831 . . . . 0.0 109.905 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -89.33 117.96 28.66 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -68.01 -15.32 63.55 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -61.53 1.97 Allowed 'General case' 0 C--N 1.341 0.207 0 CA-C-N 118.646 0.657 . . . . 0.0 109.945 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.3 p -89.48 -25.5 21.42 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.693 0.797 . . . . 0.0 112.16 -171.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.2 m 62.23 52.84 3.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.719 1.608 . . . . 0.0 110.735 -169.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -117.06 154.76 30.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.793 1.637 . . . . 0.0 108.02 169.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.1 m -89.31 126.63 35.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -135.84 159.57 41.26 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.666 1.186 . . . . 0.0 109.542 -174.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -66.39 143.26 98.17 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 123.195 0.598 . . . . 0.0 110.284 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -67.25 -48.22 1.85 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.182 2.588 . . . . 0.0 110.453 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -172.51 -60.71 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.7 mtm105 . . . . . 0 C--O 1.252 1.217 0 CA-C-O 117.636 -1.173 . . . . 0.0 109.917 171.696 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 110.76 -0.089 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -85.01 82.52 8.42 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -75.51 78.42 2.54 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.0 0.92 . . . . 0.0 111.355 -172.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -83.54 39.91 0.7 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.214 1.005 . . . . 0.0 110.036 169.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -151.22 156.63 35.2 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 126.207 1.803 . . . . 0.0 108.265 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -77.85 74.12 5.38 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.415 2.744 . . . . 0.0 111.63 -174.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.0 m -135.82 168.48 19.23 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.194 1.397 . . . . 0.0 109.262 171.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.36 176.06 20.03 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.731 1.157 . . . . 0.0 111.684 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.11 123.51 8.88 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 123.936 3.091 . . . . 0.0 110.683 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.19 -45.71 13.57 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.137 0.975 . . . . 0.0 110.274 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 t -79.29 175.3 10.72 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.566 0.746 . . . . 0.0 109.367 170.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.64 -39.31 91.28 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 172.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -149.11 -66.73 0.22 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.125 0.97 . . . . 0.0 109.645 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' H ' ' NE ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -88.3 78.13 8.06 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.975 0.91 . . . . 0.0 112.068 -171.634 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 17.05 2.37 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 173.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -68.71 -26.63 65.37 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.545 0.738 . . . . 0.0 111.237 172.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.7 -10.31 59.12 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.994 0.918 . . . . 0.0 111.62 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -108.68 147.38 31.99 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.728 1.211 . . . . 0.0 109.962 -177.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.7 m -99.94 142.74 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 168.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -139.7 135.22 32.95 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.674 0.79 . . . . 0.0 110.633 -169.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -80.57 124.18 82.23 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 171.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -70.57 -25.29 25.0 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.845 2.363 . . . . 0.0 112.955 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -89.27 -46.71 8.57 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.46 0.704 . . . . 0.0 110.767 -174.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -99.01 -11.2 21.73 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.679 0.791 . . . . 0.0 112.057 -172.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.4 m 65.4 21.41 11.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.694 1.198 . . . . 0.0 111.776 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -72.76 105.1 4.19 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.099 0.96 . . . . 0.0 108.465 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.4 m -99.87 143.38 30.16 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.173 0.989 . . . . 0.0 110.726 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -141.0 150.03 42.53 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.418 1.487 . . . . 0.0 108.165 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 82.8 m -78.79 133.72 37.05 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -71.47 -53.31 14.38 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -68.53 127.7 33.95 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.967 1.307 . . . . 0.0 109.916 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.4 p -109.87 161.09 15.8 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.27 1.028 . . . . 0.0 111.224 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.3 -31.45 72.26 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.663 0.785 . . . . 0.0 111.413 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 p -63.26 -47.13 83.68 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.168 0.587 . . . . 0.0 110.662 174.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -58.95 -46.41 88.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.168 0.587 . . . . 0.0 110.63 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.3 m -60.42 -46.09 91.28 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.002 0.365 . . . . 0.0 111.268 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -61.11 -32.97 72.65 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.87 1.268 . . . . 0.0 111.788 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.9 -30.16 68.83 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.122 0.419 . . . . 0.0 111.988 173.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -100.13 15.56 27.01 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.323 1.049 . . . . 0.0 111.198 174.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 58.87 48.46 11.11 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.358 1.463 . . . . 0.0 111.177 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.9 mt -134.61 176.38 8.68 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.501 1.92 . . . . 0.0 107.737 175.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -135.87 150.46 49.38 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.508 0.723 . . . . 0.0 110.073 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.6 tp -74.99 128.41 35.5 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.272 1.029 . . . . 0.0 110.071 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -89.5 107.18 18.93 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 106.671 -1.604 . . . . 0.0 106.671 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -57.54 -19.85 27.94 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -78.87 -50.11 11.78 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.301 0.641 . . . . 0.0 110.394 -173.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -98.75 -17.49 18.48 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.289 1.436 . . . . 0.0 111.768 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.7 m 50.5 54.69 10.71 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 126.762 2.025 . . . . 0.0 112.426 -172.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -118.73 161.37 20.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.877 1.671 . . . . 0.0 107.656 169.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -89.25 125.62 35.17 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -134.85 -176.46 4.25 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.478 1.511 . . . . 0.0 109.132 -175.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -52.18 136.78 39.19 Favored Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 123.906 0.882 . . . . 0.0 111.469 -173.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.92 104.1 1.7 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.188 2.592 . . . . 0.0 110.613 -174.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -79.84 88.02 5.28 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 ptm85 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.004 -1.474 . . . . 0.0 110.03 178.421 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.96 0.409 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -87.92 -50.13 6.63 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.683 1.193 . . . . 0.0 110.611 -173.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -73.01 -70.63 0.35 Allowed 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -79.16 124.49 28.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -115.85 93.42 37.77 Favored Pre-proline 0 CA--C 1.534 0.332 0 C-N-CA 124.485 1.114 . . . . 0.0 108.591 -175.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.16 110.79 3.14 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.809 2.339 . . . . 0.0 109.682 -174.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 m -61.31 146.77 46.92 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.165 0.586 . . . . 0.0 110.939 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.01 172.65 53.22 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.006 0.812 . . . . 0.0 111.742 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -75.96 131.13 12.91 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 123.209 2.606 . . . . 0.0 110.271 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.9 m -68.13 -42.81 79.63 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.869 0.868 . . . . 0.0 108.875 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t -71.61 -170.61 0.55 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.269 1.428 . . . . 0.0 109.553 169.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.11 -56.02 15.36 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 171.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.21 -60.55 0.62 Allowed 'General case' 0 C--N 1.34 0.162 0 C-N-CA 125.259 1.424 . . . . 0.0 108.159 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -73.69 86.4 1.65 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.04 1.336 . . . . 0.0 111.335 -175.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -90.87 40.39 1.02 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.883 0.873 . . . . 0.0 110.812 169.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -79.6 -36.12 38.54 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.996 0.519 . . . . 0.0 110.765 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -84.83 39.6 0.76 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.191 0.997 . . . . 0.0 110.5 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -147.39 162.86 38.14 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.921 1.288 . . . . 0.0 109.731 -172.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.8 m -125.0 129.61 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 168.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -108.9 130.0 55.43 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.971 0.908 . . . . 0.0 110.447 -172.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -67.21 130.66 93.6 Favored Pre-proline 0 CA--C 1.536 0.406 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -66.44 -42.25 10.26 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.937 2.425 . . . . 0.0 113.344 -169.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -89.07 -30.57 18.57 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -169.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.3 p -99.46 -22.98 15.27 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.344 0.658 . . . . 0.0 111.808 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 91.7 m 61.5 26.76 16.44 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.884 1.273 . . . . 0.0 112.575 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -90.14 134.46 34.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 171.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.4 m -101.58 155.53 18.03 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.099 0.56 . . . . 0.0 112.201 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -130.5 142.06 50.49 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 169.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 40.6 m -70.84 137.25 49.28 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.036 0.446 . . . . 0.0 111.172 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -71.2 -44.08 66.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.862 1.265 . . . . 0.0 109.246 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -80.16 146.98 31.53 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.012 1.325 . . . . 0.0 109.172 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.6 p -138.66 160.57 39.29 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.749 0.82 . . . . 0.0 110.624 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.97 -24.19 57.01 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.335 1.054 . . . . 0.0 112.282 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.6 m -62.94 -51.31 67.39 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.614 0.643 . . . . 0.0 110.57 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -61.19 -47.07 87.83 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.1 m -60.32 -46.26 90.53 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 122.815 0.446 . . . . 0.0 111.068 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -60.46 -41.42 94.11 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.962 0.905 . . . . 0.0 110.847 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.3 -27.92 66.3 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.733 0.413 . . . . 0.0 111.862 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -98.44 9.29 43.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.006 1.323 . . . . 0.0 111.023 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 61.94 44.97 7.82 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.97 1.708 . . . . 0.0 111.992 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.4 mt -140.26 -177.06 4.85 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.503 2.321 . . . . 0.0 107.655 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.5 mm-40 -138.47 159.37 42.25 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.216 1.007 . . . . 0.0 109.327 173.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -75.35 131.06 39.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.778 0.431 . . . . 0.0 110.467 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -89.13 100.24 13.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 169.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.79 -13.15 13.38 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -169.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -79.13 -57.03 3.93 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.697 0.681 . . . . 0.0 109.713 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.4 p -91.48 -20.08 22.13 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.568 1.147 . . . . 0.0 111.496 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 58.8 m 56.49 50.86 12.19 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 126.759 2.024 . . . . 0.0 111.775 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -110.84 162.01 15.23 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.928 1.691 . . . . 0.0 107.558 168.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.4 m -89.31 127.14 35.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -139.76 157.64 45.41 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.287 1.435 . . . . 0.0 109.163 -175.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -69.15 129.65 91.85 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.52 -51.45 1.0 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.476 2.117 . . . . 0.0 111.055 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.89 91.6 6.5 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.776 0.83 . . . . 0.0 110.236 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 C--O 1.251 1.134 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 169.189 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -59.81 137.33 58.09 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.102 0.961 . . . . 0.0 110.856 -175.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -66.08 -51.61 56.51 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.597 0.759 . . . . 0.0 110.955 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -84.15 58.78 4.94 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.909 0.884 . . . . 0.0 110.382 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -98.47 118.92 62.65 Favored Pre-proline 0 N--CA 1.453 -0.318 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.91 76.84 3.6 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 123.301 2.668 . . . . 0.0 110.265 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -81.75 176.97 9.17 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.063 1.345 . . . . 0.0 111.527 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.36 171.5 31.6 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.78 135.5 35.75 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.861 3.04 . . . . 0.0 110.848 -176.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.8 m -76.79 -44.49 32.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.496 0.718 . . . . 0.0 109.761 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.4 p -76.42 -179.94 5.48 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.141 0.976 . . . . 0.0 111.218 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -67.41 -82.45 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.14 1.376 . . . . 0.0 111.279 -171.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -151.14 -74.02 0.15 Allowed 'General case' 0 C--N 1.339 0.122 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -1.57 11.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.045 0.938 . . . . 0.0 113.117 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -76.1 59.02 1.28 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.092 1.757 . . . . 0.0 109.592 170.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -72.79 -15.5 61.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.597 1.559 . . . . 0.0 111.721 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -64.74 -13.83 56.42 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.715 1.206 . . . . 0.0 111.828 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -89.17 134.54 33.98 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 169.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.73 137.99 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 125.128 1.371 . . . . 0.0 108.424 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.13 148.35 25.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.167 1.387 . . . . 0.0 111.179 -169.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -102.17 118.17 59.67 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 125.116 1.367 . . . . 0.0 107.946 172.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.88 -10.01 19.7 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.23 2.62 . . . . 0.0 113.51 -172.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -89.38 -47.12 8.23 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.743 0.701 . . . . 0.0 110.248 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.9 p -99.63 -22.42 15.44 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.845 1.258 . . . . 0.0 111.967 -174.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m 77.31 3.64 3.18 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 126.071 1.748 . . . . 0.0 112.549 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -73.35 164.45 26.65 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.6 m -136.38 158.01 45.43 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.454 0.702 . . . . 0.0 110.081 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.8 p -140.4 147.83 40.33 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.406 1.082 . . . . 0.0 108.871 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.9 m -78.93 130.09 35.21 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.897 0.479 . . . . 0.0 111.164 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -61.22 -45.2 95.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.209 1.004 . . . . 0.0 109.541 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -77.22 115.07 16.69 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.562 1.145 . . . . 0.0 108.863 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -104.7 164.38 11.81 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.021 0.928 . . . . 0.0 111.115 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.03 -35.7 71.66 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.167 0.987 . . . . 0.0 110.523 169.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -62.73 -46.78 86.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.721 0.808 . . . . 0.0 110.669 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -60.68 -48.53 81.36 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.666 0.386 . . . . 0.0 110.36 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.9 m -59.94 -45.34 92.96 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.382 0.273 . . . . 0.0 110.911 176.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -61.57 -35.57 78.19 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.091 0.956 . . . . 0.0 111.484 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.73 -24.09 67.63 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.38 0.672 . . . . 0.0 111.893 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -99.55 8.49 44.42 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.907 1.283 . . . . 0.0 111.515 172.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 60.08 50.96 6.07 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.931 1.692 . . . . 0.0 110.929 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -138.93 173.46 11.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.289 1.836 . . . . 0.0 108.546 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -119.2 150.19 40.48 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 125.017 1.327 . . . . 0.0 109.035 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.3 tp -83.92 137.48 33.63 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.423 0.689 . . . . 0.0 109.952 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -89.38 112.32 23.4 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -63.04 -18.77 63.71 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -173.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -79.22 -51.65 9.2 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.468 0.576 . . . . 0.0 110.955 -174.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.5 t -107.43 -11.94 15.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.626 1.17 . . . . 0.0 112.662 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.0 m 54.78 57.17 5.91 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.517 1.527 . . . . 0.0 112.016 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -125.38 154.78 41.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.918 1.687 . . . . 0.0 107.161 169.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 84.3 m -88.87 142.73 27.41 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -140.22 159.58 41.88 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.455 1.502 . . . . 0.0 110.203 -173.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -69.59 138.94 88.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -45.02 -62.69 0.41 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 124.458 3.439 . . . . 0.0 112.891 175.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.85 77.97 0.06 Allowed 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 175.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 83.0 mmt-85 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 124.88 1.272 . . . . 0.0 109.489 -176.161 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -80.61 71.38 7.48 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.854 0.862 . . . . 0.0 109.76 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -82.05 49.6 1.42 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.222 1.009 . . . . 0.0 111.007 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.0 55.41 3.48 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.869 1.268 . . . . 0.0 110.315 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -98.94 111.13 59.98 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 124.937 1.295 . . . . 0.0 108.699 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -76.17 166.5 27.66 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.786 2.324 . . . . 0.0 110.472 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.1 m -64.58 143.18 58.1 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.662 0.385 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.79 171.49 34.58 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -60.67 128.47 25.87 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.778 2.985 . . . . 0.0 111.549 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.88 -44.03 17.38 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 169.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.6 t -76.41 -81.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.822 0.849 . . . . 0.0 110.59 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -145.67 -68.35 0.29 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.794 0.838 . . . . 0.0 110.432 -174.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ptt-85 -104.16 -42.31 5.56 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 124.599 1.16 . . . . 0.0 109.742 -172.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -171.16 120.17 0.51 Allowed 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 126.654 1.981 . . . . 0.0 105.657 170.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.73 134.55 24.77 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.378 1.071 . . . . 0.0 111.131 175.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -129.36 -54.08 1.18 Allowed 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.641 1.176 . . . . 0.0 109.735 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.3 mt -81.41 38.54 0.49 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.791 1.236 . . . . 0.0 110.865 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -150.16 147.68 28.03 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.109 1.364 . . . . 0.0 109.049 -171.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.76 137.73 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 168.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -125.7 133.92 51.98 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 124.277 1.031 . . . . 0.0 110.172 -170.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -70.69 124.83 91.61 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.51 -23.75 36.92 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.899 2.4 . . . . 0.0 113.475 -170.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -89.19 -47.27 8.18 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.159 0.584 . . . . 0.0 110.806 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.6 p -99.36 -14.82 19.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.106 0.962 . . . . 0.0 112.167 -173.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.3 m 65.69 20.09 11.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.232 1.413 . . . . 0.0 112.469 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -76.46 122.84 25.12 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.5 m -99.84 149.48 23.34 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.105 0.962 . . . . 0.0 111.345 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.6 p -140.15 146.81 39.28 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.421 1.488 . . . . 0.0 107.227 169.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.5 m -70.46 136.98 49.93 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 121.014 0.435 . . . . 0.0 111.73 -173.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -72.17 -45.76 59.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.61 1.164 . . . . 0.0 109.406 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -75.98 126.75 31.59 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.286 1.034 . . . . 0.0 108.613 173.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.0 p -106.29 163.47 12.8 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.062 0.945 . . . . 0.0 110.755 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -66.0 -31.56 72.53 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.986 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.7 t -61.81 -48.11 82.08 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.511 0.724 . . . . 0.0 110.358 173.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -51.33 -46.38 62.6 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.61 1.164 . . . . 0.0 110.441 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.12 -40.38 74.91 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.965 0.506 . . . . 0.0 112.309 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -62.79 -27.04 69.03 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.211 1.004 . . . . 0.0 111.643 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.26 57.08 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.924 0.889 . . . . 0.0 112.367 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.33 23.72 14.09 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.029 0.932 . . . . 0.0 111.579 176.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 57.68 48.86 13.32 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.432 1.493 . . . . 0.0 111.487 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.6 mt -127.99 177.4 6.9 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.849 1.659 . . . . 0.0 107.599 171.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -133.67 159.87 39.23 Favored 'General case' 0 C--O 1.228 -0.053 0 C-N-CA 123.334 0.653 . . . . 0.0 109.57 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 tp -72.17 142.04 49.07 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.38 1.072 . . . . 0.0 110.624 -175.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -88.81 112.54 23.35 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 171.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.31 -27.14 54.65 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.187 0.595 . . . . 0.0 112.503 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -79.43 -63.47 1.41 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.806 0.843 . . . . 0.0 111.099 -173.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -97.62 -21.44 17.05 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.731 0.812 . . . . 0.0 111.901 -172.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . 0.29 68.8 m 67.19 56.52 0.63 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.19 1.396 . . . . 0.0 111.865 -178.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -122.78 159.59 27.74 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 127.243 2.217 . . . . 0.0 106.866 168.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 79.7 m -89.11 136.26 33.11 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.36 165.1 28.32 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.364 1.466 . . . . 0.0 110.89 -172.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -68.89 119.47 69.71 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 168.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -37.81 112.66 0.12 Allowed 'Trans proline' 0 CA--C 1.537 0.671 1 C-N-CA 125.537 4.158 . . . . 0.0 116.304 -171.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.7 -46.98 0.1 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.404 1.082 . . . . 0.0 110.992 169.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 126.254 1.822 . . . . 0.0 108.061 175.573 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -68.01 -51.71 43.96 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.305 0.642 . . . . 0.0 109.349 175.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -72.23 170.25 14.45 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.493 0.717 . . . . 0.0 110.678 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -66.77 135.73 54.41 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 169.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -148.88 134.31 9.53 Favored Pre-proline 0 CA--C 1.532 0.286 0 C-N-CA 124.15 0.98 . . . . 0.0 108.493 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.0 -111.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.482 2.788 . . . . 0.0 109.313 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m -67.19 142.35 57.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.057 0.943 . . . . 0.0 110.88 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.9 -178.63 40.54 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.55 1.071 . . . . 0.0 110.755 175.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.61 126.98 10.58 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.461 2.774 . . . . 0.0 110.518 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.2 m -71.41 -52.49 18.28 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.866 0.866 . . . . 0.0 111.115 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.3 t -74.9 -73.81 0.23 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.821 0.448 . . . . 0.0 110.313 -173.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -144.59 -68.97 0.3 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.469 1.108 . . . . 0.0 108.474 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -141.73 -76.43 0.29 Allowed 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.515 1.126 . . . . 0.0 109.183 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 -82.78 58.42 4.29 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.149 0.98 . . . . 0.0 111.722 -170.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.86 126.51 30.8 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -144.28 -44.25 0.25 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.45 1.1 . . . . 0.0 110.726 -173.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.22 -11.08 37.21 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.15 0.98 . . . . 0.0 111.533 173.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -89.59 131.79 35.42 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.121 1.368 . . . . 0.0 108.678 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -99.95 133.01 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 169.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -119.83 138.98 53.05 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.304 1.042 . . . . 0.0 111.417 -169.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -72.08 119.37 74.17 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 123.957 0.903 . . . . 0.0 108.863 172.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -52.61 -33.8 60.33 Favored 'Trans proline' 0 CA--C 1.534 0.482 0 C-N-CA 123.79 2.993 . . . . 0.0 115.306 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -89.09 -46.37 8.88 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.432 0.693 . . . . 0.0 111.468 -169.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -99.05 -12.76 20.26 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.669 0.788 . . . . 0.0 111.954 -173.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.7 m 63.5 22.62 13.29 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.067 1.347 . . . . 0.0 111.759 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -76.45 116.95 17.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.876 0.87 . . . . 0.0 108.776 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.7 m -99.78 145.29 27.87 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.699 0.799 . . . . 0.0 111.691 -177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.6 t -140.83 145.73 36.64 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.26 1.424 . . . . 0.0 107.897 169.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.5 m -83.99 134.46 34.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 122.654 0.382 . . . . 0.0 111.294 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.73 -51.42 67.22 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 171.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -76.97 105.4 8.02 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.4 p -99.73 177.17 5.22 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.683 1.193 . . . . 0.0 110.943 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.8 -38.47 72.59 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.288 1.035 . . . . 0.0 110.846 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.7 p -67.53 -41.4 84.43 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.126 0.57 . . . . 0.0 111.339 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.23 -50.92 71.36 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.269 0.486 . . . . 0.0 110.375 175.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.2 m -64.68 -47.1 79.63 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.311 0.244 . . . . 0.0 111.421 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -62.33 -32.41 73.17 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.649 1.18 . . . . 0.0 112.09 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.09 -28.16 67.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.181 0.593 . . . . 0.0 111.849 173.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -102.29 12.74 36.18 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.769 1.228 . . . . 0.0 111.711 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 59.29 49.47 8.94 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.723 1.609 . . . . 0.0 111.011 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -133.92 170.04 16.21 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.936 1.694 . . . . 0.0 108.313 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -121.28 141.6 50.75 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.885 1.274 . . . . 0.0 109.484 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 tp -77.33 136.65 38.48 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.0 0.92 . . . . 0.0 110.646 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -89.31 113.66 24.96 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 169.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -53.72 -36.3 62.12 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.342 1.057 . . . . 0.0 113.266 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -78.9 -49.15 13.33 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.203 0.456 . . . . 0.0 111.819 -169.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.8 p -89.6 -24.2 21.75 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.359 0.664 . . . . 0.0 111.554 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.0 m 55.53 54.89 7.88 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.339 1.456 . . . . 0.0 110.256 -169.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -122.0 154.72 36.87 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.603 1.961 . . . . 0.0 107.422 169.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 65.9 m -89.31 142.13 27.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -140.02 159.04 43.07 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.519 1.528 . . . . 0.0 108.637 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -57.69 153.01 32.97 Favored Pre-proline 0 CA--C 1.538 0.495 0 C-N-CA 123.362 0.665 . . . . 0.0 110.955 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -54.09 82.21 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 125.119 3.88 . . . . 0.0 112.374 169.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -87.91 67.53 9.05 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.592 1.157 . . . . 0.0 109.492 -171.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.233 -1.365 . . . . 0.0 109.469 179.111 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 119.786 -0.149 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.84 -63.51 1.29 Allowed 'General case' 0 C--N 1.34 0.168 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -162.01 138.29 7.87 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.816 1.246 . . . . 0.0 108.033 171.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 56.38 46.07 21.6 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.799 0.84 . . . . 0.0 110.28 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -136.63 149.4 67.09 Favored Pre-proline 0 C--N 1.34 0.167 0 C-N-CA 125.423 1.489 . . . . 0.0 107.809 -176.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.99 148.13 50.49 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 122.463 2.109 . . . . 0.0 109.623 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.7 m -76.54 152.56 35.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.297 0.639 . . . . 0.0 110.717 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.08 -174.5 48.99 Favored Glycine 0 CA--C 1.533 1.193 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 174.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.26 141.54 97.97 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.679 2.919 . . . . 0.0 112.709 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.3 m -90.21 -60.87 1.81 Allowed 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.192 0.997 . . . . 0.0 109.664 174.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.5 p -70.81 -67.25 0.52 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.652 0.781 . . . . 0.0 110.527 -174.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.96 -58.85 0.22 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.69 0.796 . . . . 0.0 111.231 177.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -151.69 -64.81 0.18 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.621 1.168 . . . . 0.0 108.526 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -85.04 67.05 10.06 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.732 1.213 . . . . 0.0 110.531 -173.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.14 58.73 3.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.459 0.647 . . . . 0.0 110.422 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -72.29 -54.83 8.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.935 0.894 . . . . 0.0 110.95 -174.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -91.64 50.45 1.71 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.261 1.024 . . . . 0.0 109.75 -175.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -133.49 138.77 46.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.509 1.524 . . . . 0.0 107.735 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.5 m -99.98 115.0 40.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 169.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -105.8 132.4 51.96 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.25 1.42 . . . . 0.0 111.279 -169.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.54 132.54 68.79 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 123.864 0.866 . . . . 0.0 108.913 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -71.23 -42.17 2.14 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.034 2.489 . . . . 0.0 113.046 -173.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -89.54 -30.15 18.41 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -170.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.1 p -99.33 -23.51 15.14 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.518 0.727 . . . . 0.0 111.593 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.8 m 63.77 23.62 13.52 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.72 1.208 . . . . 0.0 112.3 -174.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -87.37 132.76 33.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 171.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.1 m -110.48 154.68 23.3 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.258 0.623 . . . . 0.0 111.105 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -140.51 142.27 35.26 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.924 -1.509 . . . . 0.0 106.924 168.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.9 m -85.08 135.8 33.83 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.406 0.282 . . . . 0.0 111.513 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -61.56 -45.25 94.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 169.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -80.86 105.71 12.31 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.147 0.979 . . . . 0.0 108.479 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -99.42 174.12 6.43 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.287 1.035 . . . . 0.0 110.406 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -67.08 -32.99 74.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.024 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.0 p -65.36 -44.21 88.37 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.311 0.645 . . . . 0.0 110.819 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -56.01 -44.4 78.62 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.158 0.583 . . . . 0.0 110.354 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.7 m -68.02 -37.28 81.21 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.904 0.482 . . . . 0.0 111.82 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -37.63 80.47 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.477 0.711 . . . . 0.0 111.04 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.86 -25.9 61.36 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.939 0.896 . . . . 0.0 112.409 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -99.41 2.23 44.97 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.437 1.095 . . . . 0.0 110.947 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 61.17 52.01 4.13 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.8 1.64 . . . . 0.0 109.836 -173.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -138.4 173.69 11.34 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.932 2.093 . . . . 0.0 107.94 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -131.0 150.21 52.25 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.618 1.167 . . . . 0.0 109.841 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -80.76 136.37 36.13 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.697 0.799 . . . . 0.0 111.144 -173.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -90.42 112.04 23.51 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 169.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -66.65 -9.31 34.5 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -80.39 -56.11 4.42 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.951 0.796 . . . . 0.0 110.297 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.4 p -99.87 -22.04 15.47 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.862 1.265 . . . . 0.0 112.369 -175.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.3 m 61.06 56.91 2.65 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.925 1.69 . . . . 0.0 110.96 -168.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -115.43 154.36 29.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.586 1.554 . . . . 0.0 108.492 168.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.7 m -89.5 131.45 35.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.86 -171.95 3.2 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.847 1.659 . . . . 0.0 109.116 -173.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -41.06 132.22 1.92 Allowed Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 125.728 1.611 . . . . 0.0 111.492 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -71.73 74.1 2.29 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.864 3.043 . . . . 0.0 109.91 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.464 HH11 ' HE ' ' A' ' 55' ' ' ARG . 5.0 tmt_? 178.96 -41.77 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 126.501 1.92 . . . . 0.0 107.783 -174.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.464 ' HE ' HH11 ' A' ' 54' ' ' ARG . 99.0 mtt180 . . . . . 0 C--O 1.25 1.105 0 C-N-CA 125.579 1.551 . . . . 0.0 108.577 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -62.5 -54.73 35.65 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.501 0.72 . . . . 0.0 109.503 174.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -144.56 158.85 43.58 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.347 1.459 . . . . 0.0 108.339 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -70.4 -36.81 74.28 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 122.808 0.443 . . . . 0.0 110.046 169.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -117.53 85.01 19.97 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 126.526 1.93 . . . . 0.0 108.44 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -82.44 58.8 6.67 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.664 2.909 . . . . 0.0 109.359 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.1 m -149.32 169.22 21.31 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.791 1.236 . . . . 0.0 109.633 -173.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.16 -175.4 37.7 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 173.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.87 151.02 24.13 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 123.697 2.932 . . . . 0.0 110.208 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.1 m -75.04 -37.7 61.64 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 170.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 m -73.75 -178.23 3.09 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.568 1.547 . . . . 0.0 112.408 -173.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -58.45 -43.02 88.67 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.366 1.067 . . . . 0.0 111.483 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -141.53 -134.17 0.1 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -62.71 111.31 2.04 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.175 0.59 . . . . 0.0 109.692 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 62.0 0.59 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.052 1.741 . . . . 0.0 112.458 -176.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -60.61 -51.49 69.18 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.381 1.072 . . . . 0.0 111.416 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -86.19 33.6 0.62 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.114 0.966 . . . . 0.0 111.465 -174.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -143.88 144.89 31.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 125.149 1.38 . . . . 0.0 109.161 -175.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 m -105.59 113.7 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.901 1.28 . . . . 0.0 107.59 169.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -99.81 124.74 45.4 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.606 1.162 . . . . 0.0 109.561 -178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.19 127.83 93.6 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.84 -30.66 33.2 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 122.602 2.201 . . . . 0.0 113.042 -172.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -89.1 -41.89 12.03 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.37 0.532 . . . . 0.0 111.41 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -98.93 -19.01 17.56 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.353 0.661 . . . . 0.0 111.473 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.5 m 63.27 26.31 15.07 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.778 1.231 . . . . 0.0 112.218 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -90.54 138.1 31.83 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.24 1.416 . . . . 0.0 107.901 171.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.6 m -108.78 151.52 26.11 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.454 0.701 . . . . 0.0 111.291 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 m -136.53 139.69 42.42 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 169.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.7 m -75.25 139.96 42.9 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.468 0.307 . . . . 0.0 111.496 -174.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.08 -48.57 65.17 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 171.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -75.43 145.17 41.74 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.568 1.947 . . . . 0.0 109.326 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -129.33 162.19 28.55 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.764 0.826 . . . . 0.0 111.505 -173.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.69 -40.91 93.96 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.536 1.134 . . . . 0.0 110.837 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 p -62.33 -47.39 84.45 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.757 0.823 . . . . 0.0 110.712 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 -49.07 -50.24 37.71 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.855 1.262 . . . . 0.0 110.99 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.2 m -70.42 -46.62 63.57 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.518 0.327 . . . . 0.0 111.504 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -56.57 -37.3 70.39 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.583 1.153 . . . . 0.0 111.756 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.31 -37.23 62.06 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.689 0.796 . . . . 0.0 112.107 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -99.82 15.25 27.56 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.118 0.967 . . . . 0.0 111.71 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 58.47 50.86 8.73 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.312 1.445 . . . . 0.0 110.437 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.6 mt -131.3 173.55 10.95 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.802 2.041 . . . . 0.0 107.621 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -131.48 145.84 51.96 Favored 'General case' 0 C--N 1.338 0.099 0 C-N-CA 124.068 0.947 . . . . 0.0 109.846 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.7 tp -74.94 125.52 29.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.947 0.899 . . . . 0.0 109.59 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -89.18 103.06 15.71 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 174.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -49.9 -27.3 5.04 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.746 1.618 . . . . 0.0 114.549 -172.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -78.06 -44.29 26.77 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.152 0.581 . . . . 0.0 110.753 -170.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.5 p -105.78 -14.14 15.33 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.051 1.34 . . . . 0.0 112.002 -177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . 0.251 9.8 m 47.04 53.6 10.38 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 126.296 1.838 . . . . 0.0 111.964 -169.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -107.59 158.44 17.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.993 1.717 . . . . 0.0 107.191 168.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 73.2 m -89.43 122.13 32.33 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -125.01 -176.96 3.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.151 1.78 . . . . 0.0 108.612 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -49.16 147.53 5.01 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 124.174 0.989 . . . . 0.0 112.017 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.96 77.8 1.47 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.555 2.837 . . . . 0.0 109.724 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 179.62 -46.49 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.536 1.534 . . . . 0.0 108.675 -174.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.14 -1.409 . . . . 0.0 109.549 177.765 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.742 ' O ' ' CB ' ' A' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 111.337 0.125 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.742 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 57.7 ttt85 137.76 -62.26 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 56.52 73.41 0.45 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.068 1.347 . . . . 0.0 110.851 175.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -67.35 159.15 29.95 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.256 0.622 . . . . 0.0 111.004 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -134.76 87.54 30.48 Favored Pre-proline 0 CA--C 1.532 0.274 0 C-N-CA 124.58 1.152 . . . . 0.0 108.031 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.91 114.35 1.68 Allowed 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 124.216 3.277 . . . . 0.0 112.022 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.0 m -144.99 154.92 43.06 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.684 1.194 . . . . 0.0 109.464 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.13 173.68 48.7 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -75.89 141.93 24.7 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.881 3.054 . . . . 0.0 109.956 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.0 m -68.89 -54.52 15.11 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.08 0.552 . . . . 0.0 110.013 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.8 p -88.83 -148.9 0.17 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.535 0.734 . . . . 0.0 109.023 171.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -71.07 -78.74 0.07 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.457 0.571 . . . . 0.0 111.528 -172.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -150.89 -47.29 0.12 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.071 0.548 . . . . 0.0 111.885 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -80.53 59.51 3.56 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.707 0.803 . . . . 0.0 109.579 176.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -87.16 37.26 0.76 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.081 0.952 . . . . 0.0 111.957 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -65.18 -32.47 74.17 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.721 0.809 . . . . 0.0 111.814 -173.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.42 -22.11 62.76 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.41 1.084 . . . . 0.0 111.387 176.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -89.92 143.27 26.94 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.482 0.713 . . . . 0.0 109.672 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.45 125.73 73.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 169.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -99.88 132.29 45.33 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.696 1.198 . . . . 0.0 110.417 -170.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.86 122.99 84.86 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-O 118.54 -0.743 . . . . 0.0 109.768 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.03 -37.66 57.62 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.896 3.064 . . . . 0.0 115.04 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -89.78 -48.78 7.03 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.701 0.8 . . . . 0.0 111.559 -169.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.6 p -99.09 -18.12 17.88 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.676 0.791 . . . . 0.0 112.04 -170.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.2 m 61.67 23.95 14.16 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.955 1.302 . . . . 0.0 112.79 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -90.06 135.51 33.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 169.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.11 157.76 16.78 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.23 0.538 . . . . 0.0 112.412 -175.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -137.88 144.31 41.29 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.663 1.585 . . . . 0.0 106.736 169.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.4 m -85.18 135.05 34.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 122.35 0.26 . . . . 0.0 111.426 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -63.66 -38.62 91.82 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.179 173.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -85.35 107.6 17.43 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.761 1.224 . . . . 0.0 108.254 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -99.93 166.41 11.07 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.78 0.832 . . . . 0.0 111.383 -174.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.02 -44.21 82.65 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.176 0.991 . . . . 0.0 110.01 171.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.8 m -58.56 -45.38 89.12 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.563 0.745 . . . . 0.0 110.839 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -62.74 -42.72 99.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.36 0.664 . . . . 0.0 110.972 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.9 m -62.81 -47.98 81.08 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.812 175.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -62.96 -33.17 74.8 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.154 0.982 . . . . 0.0 112.39 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.74 -26.13 66.98 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.937 0.495 . . . . 0.0 111.506 172.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -103.54 14.05 32.09 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.468 1.507 . . . . 0.0 111.383 174.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 59.83 49.67 7.72 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.41 1.884 . . . . 0.0 111.7 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.8 mt -140.1 176.72 8.52 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.925 1.69 . . . . 0.0 108.702 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -127.24 149.3 50.06 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 124.887 1.275 . . . . 0.0 109.018 176.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -85.97 137.02 33.03 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.569 0.748 . . . . 0.0 111.012 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -89.54 109.98 20.87 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 168.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -88.2 49.14 1.74 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.355 0.525 . . . . 0.0 110.529 -174.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -125.55 -51.81 1.6 Allowed 'General case' 0 C--N 1.339 0.121 0 C-N-CA 125.348 1.459 . . . . 0.0 107.672 171.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 t -110.04 -10.44 14.7 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.396 1.079 . . . . 0.0 112.231 176.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 56.3 m 59.21 55.71 4.2 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 125.051 1.34 . . . . 0.0 112.38 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -118.79 155.19 31.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.472 1.509 . . . . 0.0 107.522 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.9 m -88.99 145.52 25.45 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -140.24 163.69 32.07 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.773 1.629 . . . . 0.0 109.684 -175.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 143.8 91.48 Favored Pre-proline 0 CA--C 1.536 0.43 0 C-N-CA 123.382 0.673 . . . . 0.0 109.704 -178.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -78.68 66.4 8.6 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.774 2.983 . . . . 0.0 111.089 -174.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.5 84.81 7.39 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 175.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 116.908 -1.52 . . . . 0.0 110.38 179.074 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.683 0 CA-C-O 119.101 -0.475 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.24 -172.97 4.1 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.008 0.923 . . . . 0.0 110.08 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -60.32 -56.85 16.46 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.846 1.258 . . . . 0.0 110.328 176.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -80.12 62.36 4.27 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.518 1.127 . . . . 0.0 110.852 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -150.24 132.78 8.16 Favored Pre-proline 0 CA--C 1.533 0.316 0 C-N-CA 124.336 1.055 . . . . 0.0 109.121 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.04 100.5 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.937 2.425 . . . . 0.0 108.712 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.7 m -68.17 135.17 51.67 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 122.843 0.457 . . . . 0.0 111.136 -172.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.82 -175.37 39.74 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.637 1.113 . . . . 0.0 110.593 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.81 155.46 39.23 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.908 3.072 . . . . 0.0 110.477 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.2 m -67.31 -54.6 19.28 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.461 0.704 . . . . 0.0 110.389 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 t -88.2 -153.48 0.24 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.198 0.999 . . . . 0.0 108.802 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -60.93 -59.18 5.78 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.843 0.857 . . . . 0.0 109.938 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -150.87 -61.63 0.19 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.996 0.918 . . . . 0.0 109.155 173.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -84.53 67.16 9.84 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.316 1.047 . . . . 0.0 110.41 -174.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -61.97 2.15 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.979 0.912 . . . . 0.0 111.233 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m170 70.09 -66.28 0.28 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.51 1.924 . . . . 0.0 112.425 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.4 mt -85.09 42.76 0.96 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.809 1.244 . . . . 0.0 111.312 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -141.35 155.76 45.9 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.727 1.211 . . . . 0.0 109.924 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 m -116.16 143.69 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 125.529 1.532 . . . . 0.0 107.034 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -125.39 143.24 51.07 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.674 1.19 . . . . 0.0 109.421 -176.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -103.15 112.71 65.93 Favored Pre-proline 0 N--CA 1.452 -0.341 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.12 -11.18 29.89 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.242 1.961 . . . . 0.0 112.662 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -89.46 -14.08 36.13 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.988 0.915 . . . . 0.0 112.32 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.3 p -132.12 -22.53 2.27 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.263 1.025 . . . . 0.0 111.917 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.5 m 75.1 8.21 4.07 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 127.031 2.132 . . . . 0.0 112.438 -172.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -84.28 156.44 21.95 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.0 m -132.92 165.01 25.66 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.998 0.919 . . . . 0.0 111.218 -175.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.6 t -140.25 153.97 46.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.514 1.525 . . . . 0.0 106.916 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.3 m -74.85 142.22 44.17 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -63.9 -48.57 76.1 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 173.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -77.25 110.76 12.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.175 0.99 . . . . 0.0 108.666 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.3 p -99.92 160.96 13.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.072 0.949 . . . . 0.0 110.091 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.68 -26.61 68.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.172 0.589 . . . . 0.0 111.596 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.6 t -59.23 -47.46 85.24 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.584 0.753 . . . . 0.0 110.981 174.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -58.87 -49.23 78.53 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.1 m -56.38 -46.82 79.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 119.465 -0.303 . . . . 0.0 110.668 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.63 -41.4 97.45 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.098 0.959 . . . . 0.0 111.489 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.68 -25.27 66.25 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.97 0.508 . . . . 0.0 111.902 173.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -99.18 7.16 46.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.19 1.396 . . . . 0.0 111.175 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.81 49.8 5.85 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.905 1.682 . . . . 0.0 110.732 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.3 mt -140.39 176.81 8.47 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.718 2.407 . . . . 0.0 108.131 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -129.25 154.99 46.27 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.673 1.189 . . . . 0.0 108.893 170.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.0 tp -82.88 137.48 34.24 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.864 0.866 . . . . 0.0 110.9 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -89.62 111.3 22.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -57.29 -25.12 58.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.748 1.219 . . . . 0.0 113.444 -173.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -79.13 -57.97 3.47 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.1 0.56 . . . . 0.0 110.594 -170.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.6 t -93.47 -20.49 20.24 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.966 0.906 . . . . 0.0 111.574 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.3 m 59.78 57.32 3.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.202 1.401 . . . . 0.0 110.97 -173.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -120.52 151.45 39.36 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.655 1.982 . . . . 0.0 106.327 169.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.9 m -88.83 119.3 29.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.22 -177.64 3.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.306 1.842 . . . . 0.0 109.516 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 148.02 2.25 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 124.3 1.04 . . . . 0.0 112.481 -178.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.84 102.94 1.1 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.01 2.473 . . . . 0.0 109.814 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.81 -80.94 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.097 1.359 . . . . 0.0 109.197 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.224 0 CA-C-O 117.248 -1.358 . . . . 0.0 109.178 174.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -130.9 -64.01 0.84 Allowed 'General case' 0 C--N 1.338 0.077 0 C-N-CA 124.896 1.279 . . . . 0.0 108.164 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -62.09 143.93 55.98 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.259 0.624 . . . . 0.0 110.645 174.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.77 104.85 4.82 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.504 0.721 . . . . 0.0 109.384 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -121.81 94.78 48.17 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 124.902 1.281 . . . . 0.0 108.51 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.6 -17.93 14.17 Favored 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 124.049 3.166 . . . . 0.0 115.989 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 70.0 m -122.47 148.94 44.54 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.574 1.55 . . . . 0.0 109.977 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.23 163.27 37.45 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 171.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -49.78 138.79 33.14 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 124.253 3.302 . . . . 0.0 113.345 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.1 m -64.03 -79.95 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.613 0.765 . . . . 0.0 109.633 173.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -90.57 171.47 9.38 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.512 0.725 . . . . 0.0 110.144 173.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.18 -75.57 0.1 Allowed 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -169.507 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 70.7 ttt180 -151.95 -72.96 0.15 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.717 1.207 . . . . 0.0 108.732 -170.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -58.47 -30.03 66.65 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.583 1.953 . . . . 0.0 111.129 -174.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -72.44 68.08 0.77 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.011 1.725 . . . . 0.0 109.039 169.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -76.81 -19.89 57.03 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.365 1.466 . . . . 0.0 111.913 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -82.89 46.99 1.15 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.718 1.207 . . . . 0.0 110.885 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -136.34 146.46 46.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.009 1.723 . . . . 0.0 108.719 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.5 m -126.57 153.68 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.974 1.709 . . . . 0.0 107.718 171.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -140.22 140.38 35.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.649 0.78 . . . . 0.0 110.782 -169.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.71 119.42 75.34 Favored Pre-proline 0 CA--C 1.535 0.373 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 169.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.41 -20.04 28.01 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.008 2.472 . . . . 0.0 113.126 -172.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -91.37 -52.23 4.9 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.872 0.869 . . . . 0.0 110.887 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.5 p -99.21 -7.29 26.71 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.898 0.879 . . . . 0.0 112.537 -170.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m 69.41 18.59 7.86 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.145 1.378 . . . . 0.0 112.536 173.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.2 121.61 18.69 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.4 m -99.9 132.85 45.0 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.5 1.12 . . . . 0.0 109.502 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.4 m -141.23 143.47 34.17 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.406 0.682 . . . . 0.0 110.015 172.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -83.79 136.73 34.04 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.967 0.507 . . . . 0.0 110.255 169.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.84 -47.8 79.33 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.558 0.743 . . . . 0.0 109.228 173.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -74.6 107.02 6.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.5 p -99.9 167.17 10.69 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.117 0.967 . . . . 0.0 110.437 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.85 -33.62 76.43 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 122.922 0.489 . . . . 0.0 111.096 175.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 p -61.89 -41.55 98.03 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.456 0.702 . . . . 0.0 110.791 170.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.99 37.45 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 174.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.16 -40.99 91.86 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.681 0.792 . . . . 0.0 112.019 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -63.07 -24.63 67.99 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.959 0.904 . . . . 0.0 111.807 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.01 -29.48 67.28 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.515 0.598 . . . . 0.0 111.707 171.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -99.81 8.86 43.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.009 1.323 . . . . 0.0 111.323 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 55.78 45.53 24.16 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.33 1.452 . . . . 0.0 111.129 -171.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.5 mt -121.95 171.11 9.17 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.826 1.651 . . . . 0.0 108.564 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -128.31 145.69 50.99 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.377 1.071 . . . . 0.0 109.458 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 tp -79.71 136.4 36.77 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.984 0.914 . . . . 0.0 110.935 -174.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -89.46 109.97 20.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -50.17 -34.78 23.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.089 1.356 . . . . 0.0 113.743 -173.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -78.82 -51.38 9.81 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.142 0.428 . . . . 0.0 111.2 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 p -89.11 -23.07 22.58 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.225 0.61 . . . . 0.0 111.079 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.9 m 55.29 55.09 7.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.905 1.682 . . . . 0.0 110.733 -170.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -116.03 153.64 31.31 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.497 1.919 . . . . 0.0 107.478 170.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.8 m -89.51 134.92 33.88 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -140.05 169.38 17.8 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.801 1.24 . . . . 0.0 110.02 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -54.81 132.54 66.1 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 124.571 1.148 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -50.9 -49.62 16.39 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 124.059 3.172 . . . . 0.0 112.313 172.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.29 -30.21 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.788 1.235 . . . . 0.0 111.976 -179.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 . . . . . 0 C--O 1.25 1.087 0 C-N-CA 125.876 1.67 . . . . 0.0 107.712 178.792 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -157.79 155.36 29.65 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.39 0.676 . . . . 0.0 109.539 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -80.1 73.92 6.9 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.986 0.915 . . . . 0.0 109.768 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -82.81 55.9 3.21 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.921 0.888 . . . . 0.0 110.305 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -150.76 140.68 14.04 Favored Pre-proline 0 CA--C 1.532 0.266 0 C-N-CA 125.249 1.42 . . . . 0.0 107.685 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -75.9 -117.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.183 2.589 . . . . 0.0 108.483 172.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.0 m -75.66 143.15 42.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 121.655 -0.653 . . . . 0.0 109.961 174.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.09 143.12 19.45 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 171.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.62 137.28 27.31 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 122.915 2.41 . . . . 0.0 110.146 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.9 m -68.34 -48.81 63.87 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.798 0.439 . . . . 0.0 110.062 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.2 p -82.38 175.81 9.94 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.286 1.035 . . . . 0.0 111.465 -177.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -90.03 -95.04 0.11 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.228 1.011 . . . . 0.0 111.229 -169.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 -150.16 -56.88 0.18 Allowed 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.527 1.131 . . . . 0.0 109.044 -174.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 66.5 mtp85 -55.27 -41.28 72.04 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 169.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -81.37 56.35 2.88 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.065 1.346 . . . . 0.0 109.45 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -84.61 9.72 12.99 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.461 0.704 . . . . 0.0 110.645 169.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -85.07 44.72 1.1 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.958 1.703 . . . . 0.0 108.917 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -147.38 156.47 42.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.969 1.708 . . . . 0.0 108.565 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.7 m -134.98 157.63 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.518 1.527 . . . . 0.0 108.078 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -140.1 139.02 35.75 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.878 0.871 . . . . 0.0 110.08 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -71.67 120.5 80.34 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 123.836 0.854 . . . . 0.0 109.743 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.21 -32.81 51.96 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.141 3.227 . . . . 0.0 115.584 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -89.55 -50.0 6.34 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.117 0.567 . . . . 0.0 111.307 -170.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.5 p -99.15 -13.81 19.62 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.002 0.921 . . . . 0.0 112.336 -170.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m 65.26 26.76 12.2 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.65 1.18 . . . . 0.0 111.582 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -79.01 120.11 23.12 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.3 m -98.68 141.88 30.94 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.578 0.751 . . . . 0.0 110.443 -177.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.3 m -140.31 146.51 38.61 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.87 1.268 . . . . 0.0 108.32 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.5 m -69.2 141.91 54.39 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.751 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.35 -44.27 59.1 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.309 1.043 . . . . 0.0 109.573 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -82.39 128.53 34.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.751 1.62 . . . . 0.0 109.35 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.4 p -113.0 158.46 20.25 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.745 1.218 . . . . 0.0 110.489 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.72 -28.82 69.69 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 123.771 0.828 . . . . 0.0 112.225 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 p -57.82 -47.22 83.26 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.659 0.783 . . . . 0.0 111.439 174.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -59.68 -48.85 80.02 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 122.856 0.462 . . . . 0.0 110.079 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.0 m -59.01 -47.5 85.0 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.983 0.513 . . . . 0.0 110.903 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -60.26 -33.71 72.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.239 1.416 . . . . 0.0 111.715 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.76 69.31 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 174.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -99.73 12.74 35.85 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.301 1.04 . . . . 0.0 110.955 174.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 59.29 46.38 12.83 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.356 1.462 . . . . 0.0 110.929 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.5 mt -129.03 176.38 7.93 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.631 1.972 . . . . 0.0 107.868 174.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -132.66 151.81 51.86 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.419 1.087 . . . . 0.0 109.397 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -72.86 134.1 44.7 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.9 0.88 . . . . 0.0 110.32 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -89.77 117.52 28.68 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 169.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -68.03 -16.5 64.06 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -171.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -79.52 -58.44 3.2 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.721 0.691 . . . . 0.0 110.422 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 t -102.95 -10.5 18.94 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.835 0.854 . . . . 0.0 112.44 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.8 m 57.74 55.72 5.3 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.636 1.175 . . . . 0.0 111.813 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -122.26 159.28 27.68 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.337 1.855 . . . . 0.0 106.961 170.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.5 m -89.26 133.97 34.24 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -177.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -140.0 155.85 46.9 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 125.043 1.337 . . . . 0.0 109.297 -175.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -65.9 141.16 97.49 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 122.498 0.319 . . . . 0.0 110.189 -177.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -68.6 -35.73 16.36 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 123.438 2.759 . . . . 0.0 111.192 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -150.8 152.45 33.81 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.751 1.621 . . . . 0.0 107.627 176.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.79 2.036 . . . . 0.0 108.704 174.317 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -67.12 97.16 0.5 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.199 1.0 . . . . 0.0 108.834 177.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 57.71 73.4 0.47 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.963 1.305 . . . . 0.0 109.376 -169.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -56.91 113.86 1.85 Allowed 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.697 0.799 . . . . 0.0 109.514 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -139.74 92.85 9.85 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.724 1.21 . . . . 0.0 108.913 -174.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -59.11 -15.86 30.35 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.794 2.996 . . . . 0.0 115.96 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.6 m -95.56 176.79 6.04 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.654 1.182 . . . . 0.0 110.516 -176.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.15 175.97 23.67 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 172.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -68.38 152.99 75.06 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.281 2.654 . . . . 0.0 109.956 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.3 m -65.06 -56.84 10.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.517 0.727 . . . . 0.0 110.027 -174.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.0 m -89.36 64.88 6.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.02 0.528 . . . . 0.0 109.872 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -76.42 76.78 3.16 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.225 0.61 . . . . 0.0 109.456 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -144.51 -147.26 0.21 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.102 1.761 . . . . 0.0 106.511 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -55.9 -24.88 40.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.964 0.906 . . . . 0.0 110.296 168.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -74.78 52.29 0.52 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.79 2.436 . . . . 0.0 111.468 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -66.88 -10.81 52.49 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.45 1.1 . . . . 0.0 111.11 169.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -55.33 -24.17 27.57 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.06 1.744 . . . . 0.0 110.996 170.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -88.72 133.75 34.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 175.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -126.13 168.08 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.727 1.611 . . . . 0.0 108.916 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -128.13 137.16 51.99 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.507 1.123 . . . . 0.0 110.36 -169.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.39 121.03 84.12 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 169.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.03 -23.12 46.86 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.38 2.72 . . . . 0.0 113.35 -170.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -89.5 -47.01 8.27 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.541 0.736 . . . . 0.0 111.094 -175.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.3 p -99.21 -17.58 18.06 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.642 0.777 . . . . 0.0 112.301 -170.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.0 m 63.58 29.75 15.14 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.661 1.184 . . . . 0.0 111.847 -174.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -82.47 133.72 35.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 173.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.3 m -99.03 132.63 44.19 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.493 0.717 . . . . 0.0 109.544 -176.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.8 p -141.38 142.13 33.76 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.14 0.976 . . . . 0.0 110.287 176.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 97.2 m -73.73 133.56 43.34 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.892 0.477 . . . . 0.0 111.196 170.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -66.02 -43.5 87.47 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.076 0.951 . . . . 0.0 109.573 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -76.22 136.01 39.7 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.692 1.197 . . . . 0.0 109.365 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.3 p -122.9 159.28 28.55 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.656 1.182 . . . . 0.0 110.461 -175.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -63.44 -30.81 71.88 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.942 172.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.6 m -59.83 -50.15 74.92 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.669 0.788 . . . . 0.0 110.68 173.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -57.74 -47.68 81.78 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.885 0.874 . . . . 0.0 110.518 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.1 m -62.16 -45.94 91.19 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.791 0.437 . . . . 0.0 111.353 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.73 -39.04 92.84 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 124.747 1.219 . . . . 0.0 111.58 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.51 -34.01 64.25 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.783 0.433 . . . . 0.0 111.211 172.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -99.23 17.73 19.28 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.143 1.377 . . . . 0.0 111.018 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 61.04 43.98 10.77 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.069 1.748 . . . . 0.0 112.566 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.0 mt -139.42 179.36 6.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.345 1.858 . . . . 0.0 108.226 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -134.31 149.79 50.92 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.787 0.835 . . . . 0.0 109.583 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.8 tp -76.11 126.06 30.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.504 0.721 . . . . 0.0 110.187 -177.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -89.32 98.54 11.82 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 168.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.48 -14.46 19.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.294 1.037 . . . . 0.0 113.418 -169.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -78.28 -46.02 21.3 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.315 -0.865 . . . . 0.0 109.449 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.3 p -90.01 -23.48 21.48 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.676 1.191 . . . . 0.0 111.507 177.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.6 m 52.43 47.61 24.36 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.975 2.11 . . . . 0.0 111.162 -168.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -121.0 157.77 29.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.026 1.73 . . . . 0.0 107.611 171.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.12 126.26 35.38 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -129.92 173.99 10.17 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.355 1.462 . . . . 0.0 109.379 -177.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 143.28 24.87 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 123.906 0.882 . . . . 0.0 111.668 -176.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.04 -59.87 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.629 2.219 . . . . 0.0 111.132 -173.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -109.48 -70.3 0.82 Allowed 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 173.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.704 1.602 . . . . 0.0 108.486 176.255 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.822 ' O ' ' HB3' ' A' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.822 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 24.4 ttt85 110.98 139.43 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -175.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 52.89 47.27 25.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.308 1.443 . . . . 0.0 111.686 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -89.37 63.3 6.38 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.466 1.106 . . . . 0.0 108.283 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -150.53 163.81 22.74 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 125.052 1.341 . . . . 0.0 108.357 -177.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -52.77 -27.95 36.24 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.465 2.777 . . . . 0.0 116.606 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m -109.32 -167.96 1.27 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.227 1.411 . . . . 0.0 110.839 -171.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -123.12 177.13 16.62 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.534 1.54 . . . . 0.0 111.066 -176.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.7 144.18 58.88 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 124.199 3.266 . . . . 0.0 111.435 -171.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.9 m -61.39 -58.46 8.14 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.605 0.762 . . . . 0.0 110.214 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.1 m -74.2 158.38 34.23 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.814 0.446 . . . . 0.0 110.21 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.91 -42.51 3.08 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.677 1.191 . . . . 0.0 111.766 -174.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -65.71 0.96 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.284 1.034 . . . . 0.0 108.864 176.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -86.04 57.58 4.56 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.478 0.711 . . . . 0.0 110.126 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -90.8 -143.18 0.17 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.659 1.584 . . . . 0.0 109.331 172.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.1 m80 79.56 -51.67 0.41 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 126.189 1.796 . . . . 0.0 111.946 172.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.32 -11.12 38.65 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.307 1.443 . . . . 0.0 112.962 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.33 141.52 28.47 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.827 0.74 . . . . 0.0 112.144 -172.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.7 123.75 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 168.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -114.02 142.89 45.6 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.625 0.77 . . . . 0.0 111.698 -167.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.46 129.42 92.54 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 123.926 0.89 . . . . 0.0 110.207 -174.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -68.7 -11.27 31.44 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.953 3.102 . . . . 0.0 114.358 -172.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -117.5 -51.55 2.5 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 124.143 0.977 . . . . 0.0 111.268 -177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.8 p -99.21 -1.89 38.08 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -169.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.4 m 63.99 13.84 7.99 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.871 1.268 . . . . 0.0 113.954 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -72.89 135.87 45.18 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.652 0.66 . . . . 0.0 109.497 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.8 m -98.67 134.02 42.18 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.082 0.953 . . . . 0.0 109.436 -169.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 p -140.77 136.92 32.99 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.757 1.223 . . . . 0.0 109.096 175.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.7 m -88.26 144.74 26.25 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 122.871 0.468 . . . . 0.0 111.798 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -58.86 -46.2 88.32 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.576 1.15 . . . . 0.0 109.81 173.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -75.77 107.51 7.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.1 p -101.05 164.12 11.96 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.998 0.919 . . . . 0.0 111.564 -174.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.78 -34.85 65.64 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.435 1.094 . . . . 0.0 110.895 169.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.3 m -62.03 -47.49 84.51 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.95 0.9 . . . . 0.0 111.29 177.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -63.38 -45.08 92.75 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 122.916 0.486 . . . . 0.0 110.64 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.5 m -58.46 -45.74 88.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.3 0.24 . . . . 0.0 110.58 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.98 -41.65 92.47 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.584 1.154 . . . . 0.0 111.534 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.22 64.46 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.207 0.603 . . . . 0.0 111.792 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -99.1 13.78 31.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.981 1.313 . . . . 0.0 111.308 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 55.69 50.88 13.43 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 125.988 1.715 . . . . 0.0 112.31 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -140.28 176.4 8.8 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 127.291 2.236 . . . . 0.0 107.075 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -137.56 152.34 49.33 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 170.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 tp -81.32 139.4 35.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.197 0.999 . . . . 0.0 111.26 -170.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -89.37 115.62 26.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 167.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -64.18 -20.63 66.14 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -169.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.71 -58.71 3.05 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.538 0.735 . . . . 0.0 110.955 -172.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 t -98.2 -10.77 23.55 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.483 0.713 . . . . 0.0 111.842 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.5 m 59.01 51.54 7.1 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.036 1.334 . . . . 0.0 112.032 177.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -111.91 149.85 31.3 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 75.7 m -89.0 127.1 35.66 Favored 'General case' 0 C--N 1.338 0.08 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -137.05 -170.09 2.63 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.994 1.317 . . . . 0.0 109.972 -174.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -42.81 132.53 3.01 Favored Pre-proline 0 CA--C 1.539 0.527 0 C-N-CA 125.141 1.376 . . . . 0.0 112.307 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -46.56 117.85 2.27 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 124.176 3.25 . . . . 0.0 112.886 173.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -83.99 61.16 6.27 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 174.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 . . . . . 0 C--O 1.25 1.082 0 C-N-CA 125.028 1.331 . . . . 0.0 108.988 -170.571 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 60.15 -96.4 0.06 Allowed 'General case' 0 C--N 1.34 0.162 0 C-N-CA 125.556 1.542 . . . . 0.0 110.872 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -78.88 72.37 5.39 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.106 0.962 . . . . 0.0 109.111 178.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 61.94 -96.87 0.06 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.123 1.369 . . . . 0.0 110.224 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -149.36 112.61 3.49 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 125.61 1.564 . . . . 0.0 107.789 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.36 117.83 4.21 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.558 2.839 . . . . 0.0 110.916 170.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m -136.67 176.88 8.3 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.867 1.267 . . . . 0.0 109.309 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.95 169.8 34.18 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.72 126.77 23.52 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 124.546 3.497 . . . . 0.0 112.022 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 m -69.75 -49.38 53.63 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.268 0.627 . . . . 0.0 110.02 -177.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.5 p -90.01 22.19 3.33 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.78 1.232 . . . . 0.0 111.855 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 51.19 -112.52 0.64 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.953 1.701 . . . . 0.0 111.154 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -135.0 63.1 1.63 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.031 1.332 . . . . 0.0 107.716 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -136.82 -68.14 0.49 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.901 1.28 . . . . 0.0 107.866 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -90.11 70.21 7.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.28 1.032 . . . . 0.0 108.585 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -64.56 -15.23 60.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.267 1.427 . . . . 0.0 111.829 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.36 -10.81 26.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.084 1.353 . . . . 0.0 112.048 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -89.22 146.3 24.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.175 0.99 . . . . 0.0 109.294 175.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.57 145.52 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 125.103 1.361 . . . . 0.0 108.451 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -105.09 151.29 24.17 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.847 1.259 . . . . 0.0 111.299 -169.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -109.08 110.4 60.7 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 125.44 1.496 . . . . 0.0 107.422 169.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -77.22 2.15 7.96 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.96 2.44 . . . . 0.0 113.107 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -89.44 -44.94 9.8 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.822 0.849 . . . . 0.0 109.843 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.1 p -105.09 -26.6 12.04 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.898 1.279 . . . . 0.0 111.721 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m 84.56 8.75 0.46 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.013 2.125 . . . . 0.0 111.671 -171.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -68.89 155.74 39.71 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.7 m -127.65 155.28 44.15 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.62 0.768 . . . . 0.0 109.507 169.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -139.14 142.98 38.02 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.818 1.247 . . . . 0.0 108.403 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.0 m -73.47 127.76 33.61 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.153 0.581 . . . . 0.0 111.291 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.79 -44.14 96.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.477 1.111 . . . . 0.0 109.579 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -80.36 111.63 16.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.75 1.22 . . . . 0.0 108.538 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.4 p -103.37 170.84 7.71 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.391 1.076 . . . . 0.0 111.121 -175.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -58.92 -39.43 81.53 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.868 0.867 . . . . 0.0 110.328 169.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -62.72 -43.7 98.12 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.015 0.926 . . . . 0.0 110.829 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -59.58 -50.42 73.97 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.754 0.822 . . . . 0.0 110.517 177.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.6 m -63.11 -45.29 92.71 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.271 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -59.66 -40.9 89.27 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.481 1.112 . . . . 0.0 111.36 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.91 -30.58 69.14 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.249 0.62 . . . . 0.0 111.286 173.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -99.01 18.95 16.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.396 1.078 . . . . 0.0 111.093 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 59.16 43.49 17.14 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.368 1.867 . . . . 0.0 113.009 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.7 mt -140.17 -177.64 5.1 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.431 1.892 . . . . 0.0 108.167 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -130.42 149.99 51.84 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.69 0.796 . . . . 0.0 109.698 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 tp -81.27 136.9 35.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.284 1.034 . . . . 0.0 110.674 -175.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -89.8 111.21 22.15 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 168.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -62.3 -16.29 53.08 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -174.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -79.7 -56.97 3.9 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.786 0.721 . . . . 0.0 110.218 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -89.47 -22.92 22.24 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.789 0.835 . . . . 0.0 111.755 -176.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.7 m 58.88 52.51 6.44 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.092 1.757 . . . . 0.0 110.826 -169.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -121.92 154.2 37.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.962 1.705 . . . . 0.0 107.592 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 74.2 m -89.21 137.95 31.86 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -140.23 158.52 43.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.013 1.325 . . . . 0.0 109.737 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -73.4 131.39 82.84 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -78.45 74.34 5.44 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.241 2.627 . . . . 0.0 110.687 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.31 37.42 0.29 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.319 1.047 . . . . 0.0 111.457 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.884 -1.532 . . . . 0.0 107.922 173.432 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -78.73 70.22 5.04 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.9 0.88 . . . . 0.0 110.516 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -72.88 94.48 1.83 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.828 0.851 . . . . 0.0 109.496 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.91 177.22 10.35 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.512 1.125 . . . . 0.0 109.713 177.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -143.02 150.55 53.23 Favored Pre-proline 0 CA--C 1.53 0.209 0 C-N-CA 124.588 1.155 . . . . 0.0 108.664 174.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -78.37 67.01 8.38 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.712 2.941 . . . . 0.0 109.691 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 94.7 m -138.28 161.82 35.93 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.987 1.315 . . . . 0.0 109.479 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.46 99.26 0.68 Allowed Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.906 1.241 . . . . 0.0 110.011 -176.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -47.31 131.28 18.22 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 124.505 3.47 . . . . 0.0 112.733 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.1 m -70.52 -52.78 19.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.633 0.773 . . . . 0.0 110.341 -175.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -82.44 -178.28 7.0 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.835 0.854 . . . . 0.0 110.911 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.68 -170.13 0.99 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.771 1.228 . . . . 0.0 110.651 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -88.14 -36.28 16.95 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.568 1.147 . . . . 0.0 108.033 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -50.11 -45.47 52.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.617 1.567 . . . . 0.0 109.794 168.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.43 58.48 1.71 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.749 2.019 . . . . 0.0 110.246 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -70.13 -19.22 63.23 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.581 1.552 . . . . 0.0 112.805 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.7 -9.12 48.53 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.304 1.042 . . . . 0.0 112.267 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -89.3 142.87 27.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.085 0.954 . . . . 0.0 108.994 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.19 163.16 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.525 1.53 . . . . 0.0 108.139 171.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -140.03 139.17 35.92 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.759 0.824 . . . . 0.0 109.705 -175.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.93 121.87 78.08 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.762 -178.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.63 -42.4 29.64 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 124.381 3.387 . . . . 0.0 114.644 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -93.0 -49.64 5.92 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.6 0.76 . . . . 0.0 111.894 -170.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -99.0 -12.08 20.93 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.9 m 69.51 18.72 7.71 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.805 1.242 . . . . 0.0 113.761 172.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -79.45 135.41 36.66 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.5 m -99.38 136.52 39.21 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 124.054 0.941 . . . . 0.0 110.136 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.8 p -141.38 146.47 36.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.117 0.967 . . . . 0.0 109.904 172.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.5 m -79.51 137.2 37.11 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.762 0.425 . . . . 0.0 111.0 170.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -65.13 -46.82 79.38 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 171.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -76.17 123.51 25.96 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.06 0.944 . . . . 0.0 108.946 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.9 p -116.97 167.22 11.33 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.416 1.086 . . . . 0.0 111.243 -174.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -56.53 -38.08 71.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.479 1.112 . . . . 0.0 110.965 172.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.7 p -64.64 -46.45 82.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.453 0.701 . . . . 0.0 111.284 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -60.21 -46.34 90.07 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.156 0.582 . . . . 0.0 110.689 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.66 -46.82 83.89 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.153 0.181 . . . . 0.0 111.183 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -60.05 -39.51 86.23 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.433 1.093 . . . . 0.0 111.303 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.17 64.88 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.465 0.706 . . . . 0.0 111.827 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -98.68 8.93 44.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.549 1.14 . . . . 0.0 110.925 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 64.16 44.93 4.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.006 1.723 . . . . 0.0 111.491 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -134.45 172.87 12.3 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.244 1.818 . . . . 0.0 108.503 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -126.26 128.02 46.53 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.986 0.914 . . . . 0.0 109.716 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.3 124.62 23.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.722 0.409 . . . . 0.0 110.243 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -89.14 89.75 8.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 169.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.74 -16.37 0.07 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.958 2.103 . . . . 0.0 116.35 -175.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -78.42 -42.02 31.27 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 119.128 0.877 . . . . 0.0 110.273 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -109.04 -11.46 14.95 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.522 1.129 . . . . 0.0 111.915 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.2 m 50.17 58.61 5.29 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.739 2.016 . . . . 0.0 112.215 -173.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -126.0 153.32 44.52 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 125.534 1.534 . . . . 0.0 107.985 170.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -89.17 126.42 35.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.246 0.618 . . . . 0.0 109.533 -174.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -110.63 145.79 37.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.414 1.486 . . . . 0.0 111.156 -172.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -78.04 130.63 72.01 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 125.417 1.487 . . . . 0.0 109.429 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.91 86.73 1.05 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.209 2.606 . . . . 0.0 110.038 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -71.64 -64.71 0.87 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.625 0.77 . . . . 0.0 109.575 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.181 -1.39 . . . . 0.0 108.098 174.041 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? 68.83 -68.98 0.17 Allowed 'General case' 0 C--N 1.342 0.277 0 C-N-CA 126.549 1.939 . . . . 0.0 108.224 -169.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -70.65 153.76 42.52 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 168.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -70.74 81.54 0.62 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -149.15 71.66 10.14 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 124.584 1.153 . . . . 0.0 108.717 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.71 81.49 2.66 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.684 2.923 . . . . 0.0 110.687 -173.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.8 m -128.94 174.41 9.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.025 1.33 . . . . 0.0 109.227 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.58 -164.22 10.88 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 -173.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -53.31 142.52 56.85 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 124.442 3.428 . . . . 0.0 112.998 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.4 m -73.84 -75.24 0.16 Allowed 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.749 0.82 . . . . 0.0 110.232 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 t -90.39 -155.75 0.39 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.944 0.898 . . . . 0.0 110.257 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.7 172.16 6.73 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.521 1.128 . . . . 0.0 111.125 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -88.59 54.5 3.06 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 mtp-105 -155.98 -57.22 0.09 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 128.541 2.736 . . . . 0.0 105.488 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.0 69.12 0.96 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.942 2.097 . . . . 0.0 109.412 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -83.0 -2.34 55.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.93 1.292 . . . . 0.0 111.19 171.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -84.39 48.69 1.54 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.371 1.469 . . . . 0.0 108.85 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -140.89 149.94 42.56 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.158 1.783 . . . . 0.0 108.282 -174.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.5 m -129.16 151.71 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 125.67 1.588 . . . . 0.0 108.786 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -123.67 135.97 54.21 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.811 1.244 . . . . 0.0 109.526 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.21 122.44 82.87 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 123.475 0.71 . . . . 0.0 109.64 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -50.22 -31.44 29.12 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 124.195 3.263 . . . . 0.0 115.682 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -99.87 -49.81 4.22 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.769 0.827 . . . . 0.0 111.756 -171.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.3 p -99.22 -17.41 18.13 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.673 0.789 . . . . 0.0 112.365 -170.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.1 m 64.52 20.21 12.07 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.989 1.316 . . . . 0.0 112.734 -174.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -66.73 130.79 44.34 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 169.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 68.5 m -99.4 144.9 27.98 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.067 0.547 . . . . 0.0 110.539 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.4 m -140.75 156.47 46.18 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.228 1.411 . . . . 0.0 107.855 171.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.3 m -69.51 146.31 51.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.849 0.357 . . . . 0.0 110.603 171.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -64.02 -47.02 81.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.169 0.987 . . . . 0.0 109.225 172.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -84.61 145.51 27.98 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.94 1.296 . . . . 0.0 109.463 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.0 p -134.7 162.08 33.35 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 124.132 0.973 . . . . 0.0 111.188 -171.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -59.14 -37.87 78.3 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 123.971 0.909 . . . . 0.0 110.807 171.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m -62.6 -49.12 76.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.093 0.957 . . . . 0.0 110.809 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -57.76 -47.72 81.7 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.32 1.048 . . . . 0.0 110.856 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.71 -46.32 88.68 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.292 0.237 . . . . 0.0 111.171 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.23 -37.57 83.52 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.922 1.289 . . . . 0.0 111.72 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.66 -36.5 69.62 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.979 0.511 . . . . 0.0 111.129 173.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.69 24.27 8.52 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.84 0.856 . . . . 0.0 112.115 176.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 61.04 42.19 12.89 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.598 1.559 . . . . 0.0 112.963 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -138.31 179.93 6.17 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.992 1.717 . . . . 0.0 108.196 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -134.61 155.89 49.67 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.377 0.671 . . . . 0.0 109.791 173.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.2 tp -83.74 133.75 34.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.326 1.05 . . . . 0.0 111.502 -171.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -89.59 102.89 15.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 104.659 -2.348 . . . . 0.0 104.659 167.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -60.35 -12.87 10.38 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -172.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -79.24 -53.75 6.65 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.524 0.73 . . . . 0.0 109.777 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -89.83 -26.18 20.67 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.438 1.095 . . . . 0.0 111.238 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 69.2 m 60.21 57.42 2.95 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.414 1.886 . . . . 0.0 110.312 -169.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -126.18 154.79 42.73 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.369 1.868 . . . . 0.0 108.46 170.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 84.6 m -89.2 136.19 33.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -176.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -140.23 161.92 36.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.457 1.503 . . . . 0.0 109.764 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -70.66 127.89 91.49 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.26 103.8 1.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.843 2.362 . . . . 0.0 109.902 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -155.64 -143.05 0.12 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.484 1.114 . . . . 0.0 108.48 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.162 1.385 . . . . 0.0 109.123 -179.602 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.0 m . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 120.722 0.296 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.76 118.39 6.14 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -43.21 135.19 5.99 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 125.038 3.826 . . . . 0.0 113.402 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.8 m -63.06 -61.81 2.13 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 124.465 1.106 . . . . 0.0 111.215 -169.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -84.92 68.88 10.68 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.74 0.816 . . . . 0.0 110.046 -177.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 61.21 -102.86 0.13 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.281 1.433 . . . . 0.0 110.861 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -150.22 -47.01 0.13 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.27 1.428 . . . . 0.0 109.525 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -48.05 -28.97 3.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.93 2.092 . . . . 0.0 114.201 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -71.62 70.72 0.68 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.006 1.322 . . . . 0.0 110.127 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -71.65 -19.22 62.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.297 1.039 . . . . 0.0 111.566 175.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.94 -15.79 62.62 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.559 1.144 . . . . 0.0 111.335 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -89.87 144.81 25.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.127 0.971 . . . . 0.0 109.307 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 m -118.06 157.33 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 125.648 1.579 . . . . 0.0 107.614 169.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -134.32 139.33 45.6 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.703 0.801 . . . . 0.0 110.794 -170.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.1 129.28 93.11 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 123.78 0.832 . . . . 0.0 109.167 176.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -68.93 -27.09 30.94 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.233 2.622 . . . . 0.0 113.919 -169.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -97.98 -47.95 5.33 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.423 0.689 . . . . 0.0 112.138 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.2 p -99.57 -8.65 24.25 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.592 0.757 . . . . 0.0 112.801 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 m 67.19 18.92 10.4 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.707 1.203 . . . . 0.0 113.453 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -81.63 130.27 34.99 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 77.6 m -102.64 144.33 31.17 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.601 0.76 . . . . 0.0 111.834 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -140.59 145.7 37.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.011 1.324 . . . . 0.0 108.767 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.2 m -79.58 140.87 37.02 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.292 0.637 . . . . 0.0 111.984 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -66.72 -46.97 73.81 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.552 0.741 . . . . 0.0 109.191 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -74.41 150.72 39.86 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.294 1.038 . . . . 0.0 109.716 176.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 p -140.0 160.86 38.98 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.934 0.894 . . . . 0.0 111.268 -172.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.11 -31.94 72.45 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.436 0.694 . . . . 0.0 111.127 170.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 p -64.37 -47.99 77.19 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.145 0.578 . . . . 0.0 110.95 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -56.46 -51.98 66.41 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 122.851 0.46 . . . . 0.0 110.314 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.9 m -60.73 -43.28 98.08 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.39 0.276 . . . . 0.0 111.427 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.15 -39.0 88.45 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.949 0.9 . . . . 0.0 111.289 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.03 -24.48 66.21 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.945 0.498 . . . . 0.0 112.088 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -99.27 8.32 44.86 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.033 1.333 . . . . 0.0 110.934 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.67 47.28 8.35 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.98 1.712 . . . . 0.0 110.803 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -140.2 179.69 6.49 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.585 2.354 . . . . 0.0 107.533 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -135.14 163.85 29.0 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.61 0.764 . . . . 0.0 109.055 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 tp -84.96 132.19 34.39 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.313 0.645 . . . . 0.0 110.692 -173.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -89.25 103.07 15.73 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 168.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.31 -6.29 9.48 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -79.26 -55.96 4.7 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.778 0.831 . . . . 0.0 109.283 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.2 p -93.09 -21.5 19.67 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.974 1.309 . . . . 0.0 111.659 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.8 m 57.88 50.42 10.48 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 126.272 1.829 . . . . 0.0 110.904 -169.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.9 mtp-105 -114.39 159.38 20.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.87 1.668 . . . . 0.0 107.835 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.4 m -89.21 125.15 34.95 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -124.35 175.45 7.09 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.907 1.683 . . . . 0.0 109.674 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -53.89 142.93 43.23 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 123.492 0.717 . . . . 0.0 110.684 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 N--CA 1.452 -0.961 0 C-N-CA 122.742 2.295 . . . . 0.0 110.044 -172.414 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.6 m . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.34 -166.42 10.77 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -54.69 130.65 41.48 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 124.31 3.34 . . . . 0.0 112.383 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.2 m -67.66 -27.93 67.27 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.795 0.438 . . . . 0.0 110.332 172.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.5 p -71.28 -10.43 59.75 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.274 1.03 . . . . 0.0 112.182 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 78.34 -33.0 0.16 Allowed 'General case' 0 C--N 1.344 0.337 0 C-N-CA 127.192 2.197 . . . . 0.0 113.892 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -89.23 -81.9 0.26 Allowed 'General case' 0 C--N 1.34 0.155 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.9 tpt85 -165.43 99.86 0.71 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 158.7 24.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.507 0.723 . . . . 0.0 111.349 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -146.01 -51.54 0.24 Allowed 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.456 1.103 . . . . 0.0 108.935 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.41 -27.42 67.83 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.506 1.122 . . . . 0.0 111.047 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -89.81 136.06 33.26 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.058 0.943 . . . . 0.0 109.636 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 m -105.34 133.55 49.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 168.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -117.95 139.89 50.51 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 124.148 0.979 . . . . 0.0 110.364 -171.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.87 126.14 62.36 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 124.257 1.023 . . . . 0.0 108.795 176.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.65 -14.95 21.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.082 2.521 . . . . 0.0 113.838 -174.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -89.42 -48.27 7.45 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.978 0.808 . . . . 0.0 110.289 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.7 p -99.43 -13.14 19.67 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.118 0.967 . . . . 0.0 112.17 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.7 m 61.71 31.65 18.51 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.829 1.252 . . . . 0.0 111.795 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -88.8 121.4 31.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.8 m -99.03 138.29 36.34 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.8 m -140.14 137.96 34.85 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.118 0.967 . . . . 0.0 108.444 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 75.5 m -75.53 121.8 22.92 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.145 0.578 . . . . 0.0 110.718 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.04 -39.81 94.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.557 0.743 . . . . 0.0 109.9 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -73.05 120.88 19.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.547 0.739 . . . . 0.0 109.032 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.1 p -114.79 162.2 17.17 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.196 0.998 . . . . 0.0 110.565 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.15 -32.32 62.01 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.809 1.244 . . . . 0.0 111.873 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 m -58.14 -49.0 78.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.162 0.985 . . . . 0.0 111.337 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -61.27 -49.05 78.63 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.406 0.682 . . . . 0.0 109.833 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.8 m -59.37 -46.31 89.0 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.038 0.535 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.45 -39.68 94.15 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.783 0.833 . . . . 0.0 111.106 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.4 -23.59 65.91 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.104 0.561 . . . . 0.0 112.221 173.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -99.08 6.7 46.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.881 1.272 . . . . 0.0 111.142 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.24 48.91 7.66 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 125.558 1.543 . . . . 0.0 110.629 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 mt -140.09 -178.04 5.27 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.758 2.423 . . . . 0.0 107.111 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.3 mm-40 -137.95 155.12 49.21 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.789 0.835 . . . . 0.0 109.803 173.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.3 tp -74.3 125.88 29.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.282 0.633 . . . . 0.0 110.364 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -89.1 98.0 11.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.86 -7.84 9.22 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -169.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -78.88 -55.94 4.77 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.0 p -89.92 -20.79 22.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.572 1.149 . . . . 0.0 111.624 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.7 m 57.58 51.04 10.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.716 2.007 . . . . 0.0 110.916 -169.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -119.62 156.61 30.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.736 1.615 . . . . 0.0 107.941 173.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.6 m -89.31 125.32 35.06 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -139.33 147.81 42.07 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.238 1.415 . . . . 0.0 108.415 -177.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -66.49 143.77 98.35 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-O 119.315 -0.374 . . . . 0.0 111.321 -174.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 C-N-CA 122.71 2.274 . . . . 0.0 110.517 177.564 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 m . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 120.979 0.419 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.67 171.23 55.0 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 174.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -69.63 146.26 60.47 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.915 3.077 . . . . 0.0 111.904 -173.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.5 m -86.23 -48.61 8.39 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.687 0.795 . . . . 0.0 109.694 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 p -85.32 -79.03 0.24 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.591 1.156 . . . . 0.0 111.191 -173.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.04 -150.22 0.3 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.432 1.093 . . . . 0.0 110.01 -175.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -88.25 -36.4 16.75 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.871 0.76 . . . . 0.0 112.188 -169.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -94.95 43.27 1.09 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.275 1.03 . . . . 0.0 110.153 -177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 21.76 0.2 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -169.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -63.66 -22.13 66.74 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.083 0.856 . . . . 0.0 113.15 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.93 -30.96 71.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.903 0.881 . . . . 0.0 110.844 171.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -89.71 139.82 30.19 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.853 1.261 . . . . 0.0 109.135 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -110.65 131.88 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -119.0 138.92 52.48 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 124.083 0.953 . . . . 0.0 110.853 -169.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -82.68 125.32 76.06 Favored Pre-proline 0 N--CA 1.453 -0.312 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.64 -22.72 23.86 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.67 2.247 . . . . 0.0 113.121 -170.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -89.25 -41.58 12.11 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.867 0.758 . . . . 0.0 111.272 -174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -99.18 -17.87 17.93 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.966 0.906 . . . . 0.0 111.852 -176.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.3 m 68.97 13.1 8.78 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.363 1.465 . . . . 0.0 112.468 -176.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -71.15 124.18 23.86 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 70.8 m -99.39 142.34 31.0 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.894 0.877 . . . . 0.0 109.452 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -140.3 142.42 35.68 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.65 1.18 . . . . 0.0 108.256 173.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.6 m -82.69 130.19 35.08 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 122.522 0.329 . . . . 0.0 111.479 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -67.76 -40.7 84.05 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.357 0.663 . . . . 0.0 109.42 171.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -82.65 147.18 28.68 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.798 1.239 . . . . 0.0 109.741 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.9 p -138.13 163.68 31.06 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.716 0.807 . . . . 0.0 111.345 -171.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.69 -30.05 70.2 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.555 0.742 . . . . 0.0 111.255 174.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.3 p -65.18 -46.29 81.4 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.631 0.372 . . . . 0.0 110.659 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 -61.33 -49.4 77.12 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 122.944 0.498 . . . . 0.0 110.572 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.5 m -57.91 -46.75 84.49 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -63.54 -38.72 92.22 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.23 1.012 . . . . 0.0 112.045 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.72 -27.84 66.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.926 0.49 . . . . 0.0 111.518 172.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -99.45 14.61 29.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.027 1.331 . . . . 0.0 111.244 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 59.88 48.81 8.51 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.791 1.636 . . . . 0.0 111.276 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.4 mt -140.7 -178.08 5.36 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.35 2.26 . . . . 0.0 108.27 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -138.01 147.55 44.29 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.894 0.878 . . . . 0.0 110.295 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 tp -79.48 129.18 34.23 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.807 0.843 . . . . 0.0 110.365 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -89.42 99.87 12.78 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 168.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -52.75 -22.81 5.7 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.727 1.611 . . . . 0.0 113.971 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -78.61 -34.67 46.51 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.543 0.611 . . . . 0.0 110.901 -174.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.8 p -107.9 -17.78 13.97 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.121 1.369 . . . . 0.0 111.561 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.8 m 50.07 43.99 25.77 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.863 2.065 . . . . 0.0 112.425 -169.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -113.33 158.82 20.09 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.468 1.507 . . . . 0.0 107.724 170.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 70.8 m -89.33 144.2 26.26 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -140.15 -174.3 3.89 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.814 2.046 . . . . 0.0 108.783 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -49.94 146.99 7.22 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 124.119 0.968 . . . . 0.0 112.356 -174.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo . . . . . 0 N--CA 1.458 -0.605 0 C-N-CA 124.119 3.213 . . . . 0.0 108.533 173.113 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 120.801 0.334 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.7 163.06 53.62 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.13 129.81 15.64 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.568 2.846 . . . . 0.0 111.081 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 86.2 m -67.06 -58.35 5.07 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.859 0.864 . . . . 0.0 109.904 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.4 p -78.42 149.72 33.23 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.717 0.807 . . . . 0.0 110.245 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.27 -20.91 66.63 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.17 0.588 . . . . 0.0 111.365 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -89.62 165.66 14.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.796 1.239 . . . . 0.0 110.481 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -75.32 85.94 2.5 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 174.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -57.73 160.24 4.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -171.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -176.83 -41.45 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 128.179 2.591 . . . . 0.0 107.363 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.1 mt -60.28 -35.17 74.93 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.46 1.104 . . . . 0.0 110.426 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -89.25 136.69 32.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.034 0.934 . . . . 0.0 109.15 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.6 m -107.7 129.23 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 169.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -109.11 141.82 40.74 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.509 1.124 . . . . 0.0 110.532 -173.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -99.16 116.4 65.17 Favored Pre-proline 0 N--CA 1.452 -0.335 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -72.85 -4.4 15.31 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.998 2.465 . . . . 0.0 112.911 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -88.59 -45.8 9.58 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 123.463 0.705 . . . . 0.0 109.877 -174.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.1 p -99.79 -32.02 11.23 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.31 1.044 . . . . 0.0 111.512 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.6 m 87.31 1.16 0.47 Allowed 'General case' 0 C--N 1.343 0.309 0 C-N-CA 127.835 2.454 . . . . 0.0 112.271 -169.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -66.42 143.11 57.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 118.523 0.601 . . . . 0.0 109.792 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.8 m -114.87 154.15 29.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.282 1.033 . . . . 0.0 110.03 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -140.28 145.21 37.0 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.183 0.993 . . . . 0.0 108.509 169.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -76.8 124.9 28.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.201 0.6 . . . . 0.0 110.352 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.51 -36.04 79.4 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.959 0.903 . . . . 0.0 110.23 173.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -77.07 116.93 18.15 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -107.8 162.21 14.2 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.183 0.993 . . . . 0.0 110.811 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.5 -35.96 68.61 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.995 0.918 . . . . 0.0 110.712 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 t -62.68 -49.1 76.46 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.837 0.855 . . . . 0.0 110.557 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -57.11 -44.41 83.22 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.195 0.598 . . . . 0.0 110.595 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.5 m -66.18 -46.18 78.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.977 0.511 . . . . 0.0 111.321 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -64.1 -33.78 76.56 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.992 0.917 . . . . 0.0 111.877 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.37 -25.58 67.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.52 0.728 . . . . 0.0 111.978 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -101.13 10.66 40.66 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.625 1.57 . . . . 0.0 111.653 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 59.62 48.91 8.93 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.96 1.704 . . . . 0.0 111.195 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.5 mt -135.52 179.24 6.46 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.234 1.814 . . . . 0.0 108.039 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -132.18 143.82 50.23 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.203 1.001 . . . . 0.0 109.645 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.5 tp -72.47 133.99 45.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.776 0.831 . . . . 0.0 109.905 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -89.33 117.96 28.66 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -68.01 -15.32 63.55 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -61.53 1.97 Allowed 'General case' 0 C--N 1.341 0.207 0 CA-C-N 118.646 0.657 . . . . 0.0 109.945 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.3 p -89.48 -25.5 21.42 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.693 0.797 . . . . 0.0 112.16 -171.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.2 m 62.23 52.84 3.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.719 1.608 . . . . 0.0 110.735 -169.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -117.06 154.76 30.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.793 1.637 . . . . 0.0 108.02 169.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.1 m -89.31 126.63 35.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -135.84 159.57 41.26 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.666 1.186 . . . . 0.0 109.542 -174.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -66.39 143.26 98.17 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 123.195 0.598 . . . . 0.0 110.284 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 N--CA 1.454 -0.816 0 C-N-CA 123.182 2.588 . . . . 0.0 110.453 178.739 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.0 m . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.36 176.06 20.03 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.731 1.157 . . . . 0.0 111.684 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.11 123.51 8.88 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 123.936 3.091 . . . . 0.0 110.683 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.19 -45.71 13.57 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.137 0.975 . . . . 0.0 110.274 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 t -79.29 175.3 10.72 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.566 0.746 . . . . 0.0 109.367 170.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.64 -39.31 91.28 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 172.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -149.11 -66.73 0.22 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.125 0.97 . . . . 0.0 109.645 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.406 ' H ' ' NE ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -88.3 78.13 8.06 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.975 0.91 . . . . 0.0 112.068 -171.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 17.05 2.37 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 173.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -68.71 -26.63 65.37 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.545 0.738 . . . . 0.0 111.237 172.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.7 -10.31 59.12 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.994 0.918 . . . . 0.0 111.62 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -108.68 147.38 31.99 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.728 1.211 . . . . 0.0 109.962 -177.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.7 m -99.94 142.74 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 168.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -139.7 135.22 32.95 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.674 0.79 . . . . 0.0 110.633 -169.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -80.57 124.18 82.23 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 171.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -70.57 -25.29 25.0 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.845 2.363 . . . . 0.0 112.955 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -89.27 -46.71 8.57 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.46 0.704 . . . . 0.0 110.767 -174.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -99.01 -11.2 21.73 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.679 0.791 . . . . 0.0 112.057 -172.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.4 m 65.4 21.41 11.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.694 1.198 . . . . 0.0 111.776 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -72.76 105.1 4.19 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.099 0.96 . . . . 0.0 108.465 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.4 m -99.87 143.38 30.16 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.173 0.989 . . . . 0.0 110.726 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -141.0 150.03 42.53 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.418 1.487 . . . . 0.0 108.165 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 82.8 m -78.79 133.72 37.05 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -71.47 -53.31 14.38 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -68.53 127.7 33.95 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.967 1.307 . . . . 0.0 109.916 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.4 p -109.87 161.09 15.8 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.27 1.028 . . . . 0.0 111.224 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.3 -31.45 72.26 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.663 0.785 . . . . 0.0 111.413 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 p -63.26 -47.13 83.68 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.168 0.587 . . . . 0.0 110.662 174.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -58.95 -46.41 88.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.168 0.587 . . . . 0.0 110.63 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.3 m -60.42 -46.09 91.28 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.002 0.365 . . . . 0.0 111.268 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -61.11 -32.97 72.65 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.87 1.268 . . . . 0.0 111.788 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.9 -30.16 68.83 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.122 0.419 . . . . 0.0 111.988 173.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -100.13 15.56 27.01 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.323 1.049 . . . . 0.0 111.198 174.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 58.87 48.46 11.11 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.358 1.463 . . . . 0.0 111.177 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.9 mt -134.61 176.38 8.68 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.501 1.92 . . . . 0.0 107.737 175.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -135.87 150.46 49.38 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.508 0.723 . . . . 0.0 110.073 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.6 tp -74.99 128.41 35.5 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.272 1.029 . . . . 0.0 110.071 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -89.5 107.18 18.93 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 106.671 -1.604 . . . . 0.0 106.671 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -57.54 -19.85 27.94 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -78.87 -50.11 11.78 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.301 0.641 . . . . 0.0 110.394 -173.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -98.75 -17.49 18.48 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.289 1.436 . . . . 0.0 111.768 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.7 m 50.5 54.69 10.71 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 126.762 2.025 . . . . 0.0 112.426 -172.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -118.73 161.37 20.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.877 1.671 . . . . 0.0 107.656 169.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -89.25 125.62 35.17 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -134.85 -176.46 4.25 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.478 1.511 . . . . 0.0 109.132 -175.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -52.18 136.78 39.19 Favored Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 123.906 0.882 . . . . 0.0 111.469 -173.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 C-N-CA 123.188 2.592 . . . . 0.0 110.613 -174.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 m . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 121.094 0.473 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.01 172.65 53.22 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.006 0.812 . . . . 0.0 111.742 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -75.96 131.13 12.91 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 123.209 2.606 . . . . 0.0 110.271 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.9 m -68.13 -42.81 79.63 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.869 0.868 . . . . 0.0 108.875 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t -71.61 -170.61 0.55 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.269 1.428 . . . . 0.0 109.553 169.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.11 -56.02 15.36 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 171.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.21 -60.55 0.62 Allowed 'General case' 0 C--N 1.34 0.162 0 C-N-CA 125.259 1.424 . . . . 0.0 108.159 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -73.69 86.4 1.65 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.04 1.336 . . . . 0.0 111.335 -175.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -90.87 40.39 1.02 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.883 0.873 . . . . 0.0 110.812 169.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -79.6 -36.12 38.54 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.996 0.519 . . . . 0.0 110.765 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -84.83 39.6 0.76 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.191 0.997 . . . . 0.0 110.5 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -147.39 162.86 38.14 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.921 1.288 . . . . 0.0 109.731 -172.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.8 m -125.0 129.61 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 168.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -108.9 130.0 55.43 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.971 0.908 . . . . 0.0 110.447 -172.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -67.21 130.66 93.6 Favored Pre-proline 0 CA--C 1.536 0.406 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -66.44 -42.25 10.26 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.937 2.425 . . . . 0.0 113.344 -169.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -89.07 -30.57 18.57 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -169.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.3 p -99.46 -22.98 15.27 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.344 0.658 . . . . 0.0 111.808 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 91.7 m 61.5 26.76 16.44 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.884 1.273 . . . . 0.0 112.575 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -90.14 134.46 34.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 171.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.4 m -101.58 155.53 18.03 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.099 0.56 . . . . 0.0 112.201 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -130.5 142.06 50.49 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 169.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 40.6 m -70.84 137.25 49.28 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.036 0.446 . . . . 0.0 111.172 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -71.2 -44.08 66.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.862 1.265 . . . . 0.0 109.246 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -80.16 146.98 31.53 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.012 1.325 . . . . 0.0 109.172 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.6 p -138.66 160.57 39.29 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.749 0.82 . . . . 0.0 110.624 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.97 -24.19 57.01 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.335 1.054 . . . . 0.0 112.282 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.6 m -62.94 -51.31 67.39 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.614 0.643 . . . . 0.0 110.57 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -61.19 -47.07 87.83 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.1 m -60.32 -46.26 90.53 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 122.815 0.446 . . . . 0.0 111.068 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -60.46 -41.42 94.11 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.962 0.905 . . . . 0.0 110.847 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.3 -27.92 66.3 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.733 0.413 . . . . 0.0 111.862 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -98.44 9.29 43.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.006 1.323 . . . . 0.0 111.023 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 61.94 44.97 7.82 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.97 1.708 . . . . 0.0 111.992 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.4 mt -140.26 -177.06 4.85 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.503 2.321 . . . . 0.0 107.655 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.5 mm-40 -138.47 159.37 42.25 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.216 1.007 . . . . 0.0 109.327 173.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -75.35 131.06 39.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.778 0.431 . . . . 0.0 110.467 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -89.13 100.24 13.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 169.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.79 -13.15 13.38 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -169.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -79.13 -57.03 3.93 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.697 0.681 . . . . 0.0 109.713 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.4 p -91.48 -20.08 22.13 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.568 1.147 . . . . 0.0 111.496 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 58.8 m 56.49 50.86 12.19 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 126.759 2.024 . . . . 0.0 111.775 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -110.84 162.01 15.23 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.928 1.691 . . . . 0.0 107.558 168.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.4 m -89.31 127.14 35.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -139.76 157.64 45.41 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.287 1.435 . . . . 0.0 109.163 -175.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -69.15 129.65 91.85 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo . . . . . 0 N--CA 1.454 -0.819 0 C-N-CA 122.476 2.117 . . . . 0.0 111.055 -178.09 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 CA--C 1.532 0.267 0 CA-C-O 120.977 0.418 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.36 171.5 31.6 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.78 135.5 35.75 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.861 3.04 . . . . 0.0 110.848 -176.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.8 m -76.79 -44.49 32.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.496 0.718 . . . . 0.0 109.761 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.4 p -76.42 -179.94 5.48 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.141 0.976 . . . . 0.0 111.218 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -67.41 -82.45 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.14 1.376 . . . . 0.0 111.279 -171.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -151.14 -74.02 0.15 Allowed 'General case' 0 C--N 1.339 0.122 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -1.57 11.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.045 0.938 . . . . 0.0 113.117 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -76.1 59.02 1.28 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.092 1.757 . . . . 0.0 109.592 170.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -72.79 -15.5 61.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.597 1.559 . . . . 0.0 111.721 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -64.74 -13.83 56.42 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.715 1.206 . . . . 0.0 111.828 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -89.17 134.54 33.98 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 169.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.73 137.99 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 125.128 1.371 . . . . 0.0 108.424 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.13 148.35 25.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.167 1.387 . . . . 0.0 111.179 -169.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -102.17 118.17 59.67 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 125.116 1.367 . . . . 0.0 107.946 172.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.88 -10.01 19.7 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.23 2.62 . . . . 0.0 113.51 -172.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -89.38 -47.12 8.23 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.743 0.701 . . . . 0.0 110.248 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.9 p -99.63 -22.42 15.44 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.845 1.258 . . . . 0.0 111.967 -174.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m 77.31 3.64 3.18 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 126.071 1.748 . . . . 0.0 112.549 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -73.35 164.45 26.65 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.6 m -136.38 158.01 45.43 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.454 0.702 . . . . 0.0 110.081 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.8 p -140.4 147.83 40.33 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.406 1.082 . . . . 0.0 108.871 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.9 m -78.93 130.09 35.21 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.897 0.479 . . . . 0.0 111.164 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -61.22 -45.2 95.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.209 1.004 . . . . 0.0 109.541 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -77.22 115.07 16.69 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.562 1.145 . . . . 0.0 108.863 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -104.7 164.38 11.81 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.021 0.928 . . . . 0.0 111.115 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.03 -35.7 71.66 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.167 0.987 . . . . 0.0 110.523 169.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -62.73 -46.78 86.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.721 0.808 . . . . 0.0 110.669 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -60.68 -48.53 81.36 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.666 0.386 . . . . 0.0 110.36 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.9 m -59.94 -45.34 92.96 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.382 0.273 . . . . 0.0 110.911 176.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -61.57 -35.57 78.19 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.091 0.956 . . . . 0.0 111.484 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.73 -24.09 67.63 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.38 0.672 . . . . 0.0 111.893 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -99.55 8.49 44.42 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.907 1.283 . . . . 0.0 111.515 172.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 60.08 50.96 6.07 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.931 1.692 . . . . 0.0 110.929 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -138.93 173.46 11.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.289 1.836 . . . . 0.0 108.546 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -119.2 150.19 40.48 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 125.017 1.327 . . . . 0.0 109.035 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.3 tp -83.92 137.48 33.63 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.423 0.689 . . . . 0.0 109.952 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -89.38 112.32 23.4 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -63.04 -18.77 63.71 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -173.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -79.22 -51.65 9.2 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.468 0.576 . . . . 0.0 110.955 -174.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.5 t -107.43 -11.94 15.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.626 1.17 . . . . 0.0 112.662 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.0 m 54.78 57.17 5.91 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.517 1.527 . . . . 0.0 112.016 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -125.38 154.78 41.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.918 1.687 . . . . 0.0 107.161 169.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 84.3 m -88.87 142.73 27.41 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -140.22 159.58 41.88 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.455 1.502 . . . . 0.0 110.203 -173.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -69.59 138.94 88.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo . . . . . 0 N--CA 1.458 -0.583 0 C-N-CA 124.458 3.439 . . . . 0.0 112.891 175.531 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.1 m . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.619 0.247 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.79 171.49 34.58 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -60.67 128.47 25.87 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.778 2.985 . . . . 0.0 111.549 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.88 -44.03 17.38 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 169.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.6 t -76.41 -81.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.822 0.849 . . . . 0.0 110.59 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -145.67 -68.35 0.29 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.794 0.838 . . . . 0.0 110.432 -174.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ptt-85 -104.16 -42.31 5.56 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 124.599 1.16 . . . . 0.0 109.742 -172.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -171.16 120.17 0.51 Allowed 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 126.654 1.981 . . . . 0.0 105.657 170.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.73 134.55 24.77 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.378 1.071 . . . . 0.0 111.131 175.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -129.36 -54.08 1.18 Allowed 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.641 1.176 . . . . 0.0 109.735 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.3 mt -81.41 38.54 0.49 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.791 1.236 . . . . 0.0 110.865 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -150.16 147.68 28.03 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.109 1.364 . . . . 0.0 109.049 -171.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.76 137.73 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 168.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -125.7 133.92 51.98 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 124.277 1.031 . . . . 0.0 110.172 -170.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -70.69 124.83 91.61 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.51 -23.75 36.92 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.899 2.4 . . . . 0.0 113.475 -170.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -89.19 -47.27 8.18 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.159 0.584 . . . . 0.0 110.806 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.6 p -99.36 -14.82 19.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.106 0.962 . . . . 0.0 112.167 -173.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.3 m 65.69 20.09 11.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.232 1.413 . . . . 0.0 112.469 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -76.46 122.84 25.12 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.5 m -99.84 149.48 23.34 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.105 0.962 . . . . 0.0 111.345 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.6 p -140.15 146.81 39.28 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.421 1.488 . . . . 0.0 107.227 169.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.5 m -70.46 136.98 49.93 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 121.014 0.435 . . . . 0.0 111.73 -173.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -72.17 -45.76 59.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.61 1.164 . . . . 0.0 109.406 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -75.98 126.75 31.59 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.286 1.034 . . . . 0.0 108.613 173.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.0 p -106.29 163.47 12.8 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.062 0.945 . . . . 0.0 110.755 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -66.0 -31.56 72.53 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.986 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.7 t -61.81 -48.11 82.08 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.511 0.724 . . . . 0.0 110.358 173.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -51.33 -46.38 62.6 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.61 1.164 . . . . 0.0 110.441 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.12 -40.38 74.91 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.965 0.506 . . . . 0.0 112.309 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -62.79 -27.04 69.03 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.211 1.004 . . . . 0.0 111.643 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.26 57.08 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.924 0.889 . . . . 0.0 112.367 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.33 23.72 14.09 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.029 0.932 . . . . 0.0 111.579 176.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 57.68 48.86 13.32 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.432 1.493 . . . . 0.0 111.487 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.6 mt -127.99 177.4 6.9 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.849 1.659 . . . . 0.0 107.599 171.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -133.67 159.87 39.23 Favored 'General case' 0 C--O 1.228 -0.053 0 C-N-CA 123.334 0.653 . . . . 0.0 109.57 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 tp -72.17 142.04 49.07 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.38 1.072 . . . . 0.0 110.624 -175.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -88.81 112.54 23.35 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 171.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.31 -27.14 54.65 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.187 0.595 . . . . 0.0 112.503 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -79.43 -63.47 1.41 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.806 0.843 . . . . 0.0 111.099 -173.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -97.62 -21.44 17.05 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.731 0.812 . . . . 0.0 111.901 -172.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . 0.29 68.8 m 67.19 56.52 0.63 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.19 1.396 . . . . 0.0 111.865 -178.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -122.78 159.59 27.74 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 127.243 2.217 . . . . 0.0 106.866 168.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 79.7 m -89.11 136.26 33.11 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.36 165.1 28.32 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.364 1.466 . . . . 0.0 110.89 -172.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -68.89 119.47 69.71 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 168.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo . . . . . 0 CA--C 1.537 0.671 1 C-N-CA 125.537 4.158 . . . . 0.0 116.304 -171.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.625 0.25 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.9 -178.63 40.54 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.55 1.071 . . . . 0.0 110.755 175.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.61 126.98 10.58 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.461 2.774 . . . . 0.0 110.518 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.2 m -71.41 -52.49 18.28 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.866 0.866 . . . . 0.0 111.115 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.3 t -74.9 -73.81 0.23 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.821 0.448 . . . . 0.0 110.313 -173.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -144.59 -68.97 0.3 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.469 1.108 . . . . 0.0 108.474 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -141.73 -76.43 0.29 Allowed 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.515 1.126 . . . . 0.0 109.183 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 -82.78 58.42 4.29 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.149 0.98 . . . . 0.0 111.722 -170.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.86 126.51 30.8 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -144.28 -44.25 0.25 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.45 1.1 . . . . 0.0 110.726 -173.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.22 -11.08 37.21 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.15 0.98 . . . . 0.0 111.533 173.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -89.59 131.79 35.42 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.121 1.368 . . . . 0.0 108.678 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -99.95 133.01 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 169.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -119.83 138.98 53.05 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.304 1.042 . . . . 0.0 111.417 -169.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -72.08 119.37 74.17 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 123.957 0.903 . . . . 0.0 108.863 172.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -52.61 -33.8 60.33 Favored 'Trans proline' 0 CA--C 1.534 0.482 0 C-N-CA 123.79 2.993 . . . . 0.0 115.306 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -89.09 -46.37 8.88 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.432 0.693 . . . . 0.0 111.468 -169.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -99.05 -12.76 20.26 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.669 0.788 . . . . 0.0 111.954 -173.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.7 m 63.5 22.62 13.29 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.067 1.347 . . . . 0.0 111.759 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -76.45 116.95 17.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.876 0.87 . . . . 0.0 108.776 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.7 m -99.78 145.29 27.87 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.699 0.799 . . . . 0.0 111.691 -177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.6 t -140.83 145.73 36.64 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.26 1.424 . . . . 0.0 107.897 169.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.5 m -83.99 134.46 34.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 122.654 0.382 . . . . 0.0 111.294 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.73 -51.42 67.22 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 171.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -76.97 105.4 8.02 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.4 p -99.73 177.17 5.22 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.683 1.193 . . . . 0.0 110.943 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.8 -38.47 72.59 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.288 1.035 . . . . 0.0 110.846 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.7 p -67.53 -41.4 84.43 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.126 0.57 . . . . 0.0 111.339 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.23 -50.92 71.36 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.269 0.486 . . . . 0.0 110.375 175.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.2 m -64.68 -47.1 79.63 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.311 0.244 . . . . 0.0 111.421 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -62.33 -32.41 73.17 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.649 1.18 . . . . 0.0 112.09 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.09 -28.16 67.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.181 0.593 . . . . 0.0 111.849 173.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -102.29 12.74 36.18 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.769 1.228 . . . . 0.0 111.711 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 59.29 49.47 8.94 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.723 1.609 . . . . 0.0 111.011 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -133.92 170.04 16.21 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.936 1.694 . . . . 0.0 108.313 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -121.28 141.6 50.75 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.885 1.274 . . . . 0.0 109.484 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 tp -77.33 136.65 38.48 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.0 0.92 . . . . 0.0 110.646 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -89.31 113.66 24.96 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 169.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -53.72 -36.3 62.12 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.342 1.057 . . . . 0.0 113.266 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -78.9 -49.15 13.33 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.203 0.456 . . . . 0.0 111.819 -169.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.8 p -89.6 -24.2 21.75 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.359 0.664 . . . . 0.0 111.554 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.0 m 55.53 54.89 7.88 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.339 1.456 . . . . 0.0 110.256 -169.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -122.0 154.72 36.87 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.603 1.961 . . . . 0.0 107.422 169.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 65.9 m -89.31 142.13 27.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -140.02 159.04 43.07 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.519 1.528 . . . . 0.0 108.637 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -57.69 153.01 32.97 Favored Pre-proline 0 CA--C 1.538 0.495 0 C-N-CA 123.362 0.665 . . . . 0.0 110.955 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo . . . . . 0 CA--C 1.538 0.703 0 C-N-CA 125.119 3.88 . . . . 0.0 112.374 169.179 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.7 m . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.626 0.25 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.08 -174.5 48.99 Favored Glycine 0 CA--C 1.533 1.193 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 174.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.26 141.54 97.97 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.679 2.919 . . . . 0.0 112.709 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.3 m -90.21 -60.87 1.81 Allowed 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.192 0.997 . . . . 0.0 109.664 174.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.5 p -70.81 -67.25 0.52 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.652 0.781 . . . . 0.0 110.527 -174.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.96 -58.85 0.22 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.69 0.796 . . . . 0.0 111.231 177.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -151.69 -64.81 0.18 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.621 1.168 . . . . 0.0 108.526 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -85.04 67.05 10.06 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.732 1.213 . . . . 0.0 110.531 -173.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.14 58.73 3.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.459 0.647 . . . . 0.0 110.422 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -72.29 -54.83 8.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.935 0.894 . . . . 0.0 110.95 -174.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -91.64 50.45 1.71 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.261 1.024 . . . . 0.0 109.75 -175.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -133.49 138.77 46.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.509 1.524 . . . . 0.0 107.735 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.5 m -99.98 115.0 40.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 169.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -105.8 132.4 51.96 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.25 1.42 . . . . 0.0 111.279 -169.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.54 132.54 68.79 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 123.864 0.866 . . . . 0.0 108.913 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -71.23 -42.17 2.14 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.034 2.489 . . . . 0.0 113.046 -173.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -89.54 -30.15 18.41 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -170.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.1 p -99.33 -23.51 15.14 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.518 0.727 . . . . 0.0 111.593 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.8 m 63.77 23.62 13.52 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.72 1.208 . . . . 0.0 112.3 -174.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -87.37 132.76 33.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 171.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.1 m -110.48 154.68 23.3 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.258 0.623 . . . . 0.0 111.105 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -140.51 142.27 35.26 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.924 -1.509 . . . . 0.0 106.924 168.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.9 m -85.08 135.8 33.83 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.406 0.282 . . . . 0.0 111.513 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -61.56 -45.25 94.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 169.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -80.86 105.71 12.31 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.147 0.979 . . . . 0.0 108.479 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -99.42 174.12 6.43 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.287 1.035 . . . . 0.0 110.406 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -67.08 -32.99 74.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.024 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.0 p -65.36 -44.21 88.37 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.311 0.645 . . . . 0.0 110.819 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -56.01 -44.4 78.62 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.158 0.583 . . . . 0.0 110.354 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.7 m -68.02 -37.28 81.21 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.904 0.482 . . . . 0.0 111.82 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -37.63 80.47 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.477 0.711 . . . . 0.0 111.04 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.86 -25.9 61.36 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.939 0.896 . . . . 0.0 112.409 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -99.41 2.23 44.97 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.437 1.095 . . . . 0.0 110.947 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 61.17 52.01 4.13 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.8 1.64 . . . . 0.0 109.836 -173.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -138.4 173.69 11.34 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.932 2.093 . . . . 0.0 107.94 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -131.0 150.21 52.25 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.618 1.167 . . . . 0.0 109.841 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -80.76 136.37 36.13 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.697 0.799 . . . . 0.0 111.144 -173.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -90.42 112.04 23.51 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 169.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -66.65 -9.31 34.5 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -80.39 -56.11 4.42 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.951 0.796 . . . . 0.0 110.297 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.4 p -99.87 -22.04 15.47 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.862 1.265 . . . . 0.0 112.369 -175.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.3 m 61.06 56.91 2.65 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.925 1.69 . . . . 0.0 110.96 -168.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -115.43 154.36 29.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.586 1.554 . . . . 0.0 108.492 168.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.7 m -89.5 131.45 35.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.86 -171.95 3.2 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.847 1.659 . . . . 0.0 109.116 -173.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -41.06 132.22 1.92 Allowed Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 125.728 1.611 . . . . 0.0 111.492 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo . . . . . 0 C--N 1.35 0.627 0 C-N-CA 123.864 3.043 . . . . 0.0 109.91 178.473 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.1 m . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.16 -175.4 37.7 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 173.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.87 151.02 24.13 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 123.697 2.932 . . . . 0.0 110.208 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.1 m -75.04 -37.7 61.64 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 170.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 m -73.75 -178.23 3.09 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.568 1.547 . . . . 0.0 112.408 -173.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -58.45 -43.02 88.67 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.366 1.067 . . . . 0.0 111.483 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -141.53 -134.17 0.1 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -62.71 111.31 2.04 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.175 0.59 . . . . 0.0 109.692 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 62.0 0.59 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.052 1.741 . . . . 0.0 112.458 -176.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -60.61 -51.49 69.18 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.381 1.072 . . . . 0.0 111.416 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -86.19 33.6 0.62 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.114 0.966 . . . . 0.0 111.465 -174.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -143.88 144.89 31.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 125.149 1.38 . . . . 0.0 109.161 -175.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 m -105.59 113.7 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.901 1.28 . . . . 0.0 107.59 169.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -99.81 124.74 45.4 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.606 1.162 . . . . 0.0 109.561 -178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.19 127.83 93.6 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.84 -30.66 33.2 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 122.602 2.201 . . . . 0.0 113.042 -172.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -89.1 -41.89 12.03 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.37 0.532 . . . . 0.0 111.41 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -98.93 -19.01 17.56 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.353 0.661 . . . . 0.0 111.473 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.5 m 63.27 26.31 15.07 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.778 1.231 . . . . 0.0 112.218 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -90.54 138.1 31.83 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.24 1.416 . . . . 0.0 107.901 171.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.6 m -108.78 151.52 26.11 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.454 0.701 . . . . 0.0 111.291 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 m -136.53 139.69 42.42 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 169.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.7 m -75.25 139.96 42.9 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.468 0.307 . . . . 0.0 111.496 -174.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.08 -48.57 65.17 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 171.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -75.43 145.17 41.74 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.568 1.947 . . . . 0.0 109.326 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -129.33 162.19 28.55 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.764 0.826 . . . . 0.0 111.505 -173.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.69 -40.91 93.96 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.536 1.134 . . . . 0.0 110.837 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 p -62.33 -47.39 84.45 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.757 0.823 . . . . 0.0 110.712 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 -49.07 -50.24 37.71 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.855 1.262 . . . . 0.0 110.99 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.2 m -70.42 -46.62 63.57 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.518 0.327 . . . . 0.0 111.504 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -56.57 -37.3 70.39 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.583 1.153 . . . . 0.0 111.756 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.31 -37.23 62.06 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.689 0.796 . . . . 0.0 112.107 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -99.82 15.25 27.56 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.118 0.967 . . . . 0.0 111.71 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 58.47 50.86 8.73 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.312 1.445 . . . . 0.0 110.437 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.6 mt -131.3 173.55 10.95 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.802 2.041 . . . . 0.0 107.621 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -131.48 145.84 51.96 Favored 'General case' 0 C--N 1.338 0.099 0 C-N-CA 124.068 0.947 . . . . 0.0 109.846 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.7 tp -74.94 125.52 29.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.947 0.899 . . . . 0.0 109.59 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -89.18 103.06 15.71 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 174.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -49.9 -27.3 5.04 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.746 1.618 . . . . 0.0 114.549 -172.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -78.06 -44.29 26.77 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.152 0.581 . . . . 0.0 110.753 -170.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.5 p -105.78 -14.14 15.33 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.051 1.34 . . . . 0.0 112.002 -177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . 0.251 9.8 m 47.04 53.6 10.38 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 126.296 1.838 . . . . 0.0 111.964 -169.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -107.59 158.44 17.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.993 1.717 . . . . 0.0 107.191 168.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 73.2 m -89.43 122.13 32.33 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -125.01 -176.96 3.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.151 1.78 . . . . 0.0 108.612 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -49.16 147.53 5.01 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 124.174 0.989 . . . . 0.0 112.017 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 N--CA 1.455 -0.742 0 C-N-CA 123.555 2.837 . . . . 0.0 109.724 177.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.13 173.68 48.7 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -75.89 141.93 24.7 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.881 3.054 . . . . 0.0 109.956 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.0 m -68.89 -54.52 15.11 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.08 0.552 . . . . 0.0 110.013 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.8 p -88.83 -148.9 0.17 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.535 0.734 . . . . 0.0 109.023 171.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -71.07 -78.74 0.07 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.457 0.571 . . . . 0.0 111.528 -172.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -150.89 -47.29 0.12 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.071 0.548 . . . . 0.0 111.885 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -80.53 59.51 3.56 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.707 0.803 . . . . 0.0 109.579 176.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -87.16 37.26 0.76 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.081 0.952 . . . . 0.0 111.957 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -65.18 -32.47 74.17 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.721 0.809 . . . . 0.0 111.814 -173.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.42 -22.11 62.76 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.41 1.084 . . . . 0.0 111.387 176.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -89.92 143.27 26.94 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.482 0.713 . . . . 0.0 109.672 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.45 125.73 73.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 169.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -99.88 132.29 45.33 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.696 1.198 . . . . 0.0 110.417 -170.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.86 122.99 84.86 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-O 118.54 -0.743 . . . . 0.0 109.768 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.03 -37.66 57.62 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.896 3.064 . . . . 0.0 115.04 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -89.78 -48.78 7.03 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.701 0.8 . . . . 0.0 111.559 -169.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.6 p -99.09 -18.12 17.88 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.676 0.791 . . . . 0.0 112.04 -170.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.2 m 61.67 23.95 14.16 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.955 1.302 . . . . 0.0 112.79 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -90.06 135.51 33.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 169.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.11 157.76 16.78 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.23 0.538 . . . . 0.0 112.412 -175.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -137.88 144.31 41.29 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.663 1.585 . . . . 0.0 106.736 169.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.4 m -85.18 135.05 34.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 122.35 0.26 . . . . 0.0 111.426 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -63.66 -38.62 91.82 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.179 173.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -85.35 107.6 17.43 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.761 1.224 . . . . 0.0 108.254 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -99.93 166.41 11.07 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.78 0.832 . . . . 0.0 111.383 -174.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.02 -44.21 82.65 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.176 0.991 . . . . 0.0 110.01 171.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.8 m -58.56 -45.38 89.12 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.563 0.745 . . . . 0.0 110.839 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -62.74 -42.72 99.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.36 0.664 . . . . 0.0 110.972 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.9 m -62.81 -47.98 81.08 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.812 175.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -62.96 -33.17 74.8 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.154 0.982 . . . . 0.0 112.39 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.74 -26.13 66.98 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.937 0.495 . . . . 0.0 111.506 172.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -103.54 14.05 32.09 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.468 1.507 . . . . 0.0 111.383 174.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 59.83 49.67 7.72 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.41 1.884 . . . . 0.0 111.7 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.8 mt -140.1 176.72 8.52 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.925 1.69 . . . . 0.0 108.702 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -127.24 149.3 50.06 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 124.887 1.275 . . . . 0.0 109.018 176.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -85.97 137.02 33.03 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.569 0.748 . . . . 0.0 111.012 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -89.54 109.98 20.87 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 168.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -88.2 49.14 1.74 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.355 0.525 . . . . 0.0 110.529 -174.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -125.55 -51.81 1.6 Allowed 'General case' 0 C--N 1.339 0.121 0 C-N-CA 125.348 1.459 . . . . 0.0 107.672 171.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 t -110.04 -10.44 14.7 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.396 1.079 . . . . 0.0 112.231 176.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 56.3 m 59.21 55.71 4.2 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 125.051 1.34 . . . . 0.0 112.38 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -118.79 155.19 31.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.472 1.509 . . . . 0.0 107.522 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.9 m -88.99 145.52 25.45 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -140.24 163.69 32.07 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.773 1.629 . . . . 0.0 109.684 -175.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 143.8 91.48 Favored Pre-proline 0 CA--C 1.536 0.43 0 C-N-CA 123.382 0.673 . . . . 0.0 109.704 -178.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo . . . . . 0 N--CA 1.456 -0.732 0 C-N-CA 123.774 2.983 . . . . 0.0 111.089 -174.924 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.7 m . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.604 0.24 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.82 -175.37 39.74 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.637 1.113 . . . . 0.0 110.593 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.81 155.46 39.23 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.908 3.072 . . . . 0.0 110.477 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.2 m -67.31 -54.6 19.28 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.461 0.704 . . . . 0.0 110.389 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 t -88.2 -153.48 0.24 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.198 0.999 . . . . 0.0 108.802 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -60.93 -59.18 5.78 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.843 0.857 . . . . 0.0 109.938 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -150.87 -61.63 0.19 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.996 0.918 . . . . 0.0 109.155 173.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -84.53 67.16 9.84 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.316 1.047 . . . . 0.0 110.41 -174.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -61.97 2.15 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.979 0.912 . . . . 0.0 111.233 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m170 70.09 -66.28 0.28 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.51 1.924 . . . . 0.0 112.425 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.4 mt -85.09 42.76 0.96 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.809 1.244 . . . . 0.0 111.312 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -141.35 155.76 45.9 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.727 1.211 . . . . 0.0 109.924 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 m -116.16 143.69 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 125.529 1.532 . . . . 0.0 107.034 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -125.39 143.24 51.07 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.674 1.19 . . . . 0.0 109.421 -176.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -103.15 112.71 65.93 Favored Pre-proline 0 N--CA 1.452 -0.341 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.12 -11.18 29.89 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.242 1.961 . . . . 0.0 112.662 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -89.46 -14.08 36.13 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.988 0.915 . . . . 0.0 112.32 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.3 p -132.12 -22.53 2.27 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.263 1.025 . . . . 0.0 111.917 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.5 m 75.1 8.21 4.07 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 127.031 2.132 . . . . 0.0 112.438 -172.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -84.28 156.44 21.95 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.0 m -132.92 165.01 25.66 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.998 0.919 . . . . 0.0 111.218 -175.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.6 t -140.25 153.97 46.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.514 1.525 . . . . 0.0 106.916 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.3 m -74.85 142.22 44.17 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -63.9 -48.57 76.1 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 173.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -77.25 110.76 12.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.175 0.99 . . . . 0.0 108.666 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.3 p -99.92 160.96 13.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.072 0.949 . . . . 0.0 110.091 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.68 -26.61 68.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.172 0.589 . . . . 0.0 111.596 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.6 t -59.23 -47.46 85.24 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.584 0.753 . . . . 0.0 110.981 174.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -58.87 -49.23 78.53 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.1 m -56.38 -46.82 79.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 119.465 -0.303 . . . . 0.0 110.668 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.63 -41.4 97.45 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.098 0.959 . . . . 0.0 111.489 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.68 -25.27 66.25 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.97 0.508 . . . . 0.0 111.902 173.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -99.18 7.16 46.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.19 1.396 . . . . 0.0 111.175 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.81 49.8 5.85 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.905 1.682 . . . . 0.0 110.732 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.3 mt -140.39 176.81 8.47 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.718 2.407 . . . . 0.0 108.131 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -129.25 154.99 46.27 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.673 1.189 . . . . 0.0 108.893 170.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.0 tp -82.88 137.48 34.24 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.864 0.866 . . . . 0.0 110.9 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -89.62 111.3 22.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -57.29 -25.12 58.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.748 1.219 . . . . 0.0 113.444 -173.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -79.13 -57.97 3.47 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.1 0.56 . . . . 0.0 110.594 -170.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.6 t -93.47 -20.49 20.24 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.966 0.906 . . . . 0.0 111.574 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.3 m 59.78 57.32 3.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.202 1.401 . . . . 0.0 110.97 -173.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -120.52 151.45 39.36 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.655 1.982 . . . . 0.0 106.327 169.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.9 m -88.83 119.3 29.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.22 -177.64 3.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.306 1.842 . . . . 0.0 109.516 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 148.02 2.25 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 124.3 1.04 . . . . 0.0 112.481 -178.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 N--CA 1.452 -0.937 0 C-N-CA 123.01 2.473 . . . . 0.0 109.814 -178.61 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.23 163.27 37.45 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 171.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -49.78 138.79 33.14 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 124.253 3.302 . . . . 0.0 113.345 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.1 m -64.03 -79.95 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.613 0.765 . . . . 0.0 109.633 173.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -90.57 171.47 9.38 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.512 0.725 . . . . 0.0 110.144 173.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.18 -75.57 0.1 Allowed 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -169.507 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 70.7 ttt180 -151.95 -72.96 0.15 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.717 1.207 . . . . 0.0 108.732 -170.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -58.47 -30.03 66.65 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.583 1.953 . . . . 0.0 111.129 -174.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -72.44 68.08 0.77 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.011 1.725 . . . . 0.0 109.039 169.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -76.81 -19.89 57.03 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.365 1.466 . . . . 0.0 111.913 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -82.89 46.99 1.15 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.718 1.207 . . . . 0.0 110.885 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -136.34 146.46 46.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.009 1.723 . . . . 0.0 108.719 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.5 m -126.57 153.68 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.974 1.709 . . . . 0.0 107.718 171.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -140.22 140.38 35.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.649 0.78 . . . . 0.0 110.782 -169.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.71 119.42 75.34 Favored Pre-proline 0 CA--C 1.535 0.373 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 169.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.41 -20.04 28.01 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.008 2.472 . . . . 0.0 113.126 -172.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -91.37 -52.23 4.9 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.872 0.869 . . . . 0.0 110.887 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.5 p -99.21 -7.29 26.71 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.898 0.879 . . . . 0.0 112.537 -170.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m 69.41 18.59 7.86 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.145 1.378 . . . . 0.0 112.536 173.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.2 121.61 18.69 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.4 m -99.9 132.85 45.0 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.5 1.12 . . . . 0.0 109.502 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.4 m -141.23 143.47 34.17 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.406 0.682 . . . . 0.0 110.015 172.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -83.79 136.73 34.04 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.967 0.507 . . . . 0.0 110.255 169.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.84 -47.8 79.33 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.558 0.743 . . . . 0.0 109.228 173.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -74.6 107.02 6.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.5 p -99.9 167.17 10.69 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.117 0.967 . . . . 0.0 110.437 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.85 -33.62 76.43 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 122.922 0.489 . . . . 0.0 111.096 175.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 p -61.89 -41.55 98.03 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.456 0.702 . . . . 0.0 110.791 170.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.99 37.45 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 174.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.16 -40.99 91.86 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.681 0.792 . . . . 0.0 112.019 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -63.07 -24.63 67.99 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.959 0.904 . . . . 0.0 111.807 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.01 -29.48 67.28 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.515 0.598 . . . . 0.0 111.707 171.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -99.81 8.86 43.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.009 1.323 . . . . 0.0 111.323 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 55.78 45.53 24.16 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.33 1.452 . . . . 0.0 111.129 -171.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.5 mt -121.95 171.11 9.17 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.826 1.651 . . . . 0.0 108.564 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -128.31 145.69 50.99 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.377 1.071 . . . . 0.0 109.458 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 tp -79.71 136.4 36.77 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.984 0.914 . . . . 0.0 110.935 -174.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -89.46 109.97 20.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -50.17 -34.78 23.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.089 1.356 . . . . 0.0 113.743 -173.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -78.82 -51.38 9.81 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.142 0.428 . . . . 0.0 111.2 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 p -89.11 -23.07 22.58 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.225 0.61 . . . . 0.0 111.079 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.9 m 55.29 55.09 7.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.905 1.682 . . . . 0.0 110.733 -170.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -116.03 153.64 31.31 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.497 1.919 . . . . 0.0 107.478 170.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.8 m -89.51 134.92 33.88 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -140.05 169.38 17.8 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.801 1.24 . . . . 0.0 110.02 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -54.81 132.54 66.1 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 124.571 1.148 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo . . . . . 0 N--CA 1.457 -0.635 0 C-N-CA 124.059 3.172 . . . . 0.0 112.313 172.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.09 143.12 19.45 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 171.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.62 137.28 27.31 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 122.915 2.41 . . . . 0.0 110.146 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.9 m -68.34 -48.81 63.87 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.798 0.439 . . . . 0.0 110.062 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.2 p -82.38 175.81 9.94 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.286 1.035 . . . . 0.0 111.465 -177.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -90.03 -95.04 0.11 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.228 1.011 . . . . 0.0 111.229 -169.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 -150.16 -56.88 0.18 Allowed 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.527 1.131 . . . . 0.0 109.044 -174.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 66.5 mtp85 -55.27 -41.28 72.04 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 169.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -81.37 56.35 2.88 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.065 1.346 . . . . 0.0 109.45 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -84.61 9.72 12.99 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.461 0.704 . . . . 0.0 110.645 169.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -85.07 44.72 1.1 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.958 1.703 . . . . 0.0 108.917 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -147.38 156.47 42.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.969 1.708 . . . . 0.0 108.565 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.7 m -134.98 157.63 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.518 1.527 . . . . 0.0 108.078 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -140.1 139.02 35.75 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.878 0.871 . . . . 0.0 110.08 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -71.67 120.5 80.34 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 123.836 0.854 . . . . 0.0 109.743 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.21 -32.81 51.96 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.141 3.227 . . . . 0.0 115.584 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -89.55 -50.0 6.34 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.117 0.567 . . . . 0.0 111.307 -170.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.5 p -99.15 -13.81 19.62 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.002 0.921 . . . . 0.0 112.336 -170.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m 65.26 26.76 12.2 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.65 1.18 . . . . 0.0 111.582 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -79.01 120.11 23.12 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.3 m -98.68 141.88 30.94 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.578 0.751 . . . . 0.0 110.443 -177.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.3 m -140.31 146.51 38.61 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.87 1.268 . . . . 0.0 108.32 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.5 m -69.2 141.91 54.39 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.751 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.35 -44.27 59.1 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.309 1.043 . . . . 0.0 109.573 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -82.39 128.53 34.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.751 1.62 . . . . 0.0 109.35 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.4 p -113.0 158.46 20.25 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.745 1.218 . . . . 0.0 110.489 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.72 -28.82 69.69 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 123.771 0.828 . . . . 0.0 112.225 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 p -57.82 -47.22 83.26 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.659 0.783 . . . . 0.0 111.439 174.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -59.68 -48.85 80.02 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 122.856 0.462 . . . . 0.0 110.079 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.0 m -59.01 -47.5 85.0 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.983 0.513 . . . . 0.0 110.903 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -60.26 -33.71 72.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.239 1.416 . . . . 0.0 111.715 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.76 69.31 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 174.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -99.73 12.74 35.85 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.301 1.04 . . . . 0.0 110.955 174.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 59.29 46.38 12.83 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.356 1.462 . . . . 0.0 110.929 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.5 mt -129.03 176.38 7.93 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.631 1.972 . . . . 0.0 107.868 174.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -132.66 151.81 51.86 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.419 1.087 . . . . 0.0 109.397 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -72.86 134.1 44.7 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.9 0.88 . . . . 0.0 110.32 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -89.77 117.52 28.68 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 169.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -68.03 -16.5 64.06 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -171.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -79.52 -58.44 3.2 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.721 0.691 . . . . 0.0 110.422 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 t -102.95 -10.5 18.94 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.835 0.854 . . . . 0.0 112.44 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.8 m 57.74 55.72 5.3 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.636 1.175 . . . . 0.0 111.813 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -122.26 159.28 27.68 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.337 1.855 . . . . 0.0 106.961 170.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.5 m -89.26 133.97 34.24 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -177.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -140.0 155.85 46.9 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 125.043 1.337 . . . . 0.0 109.297 -175.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -65.9 141.16 97.49 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 122.498 0.319 . . . . 0.0 110.189 -177.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo . . . . . 0 N--CA 1.455 -0.752 0 C-N-CA 123.438 2.759 . . . . 0.0 111.192 -179.05 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.6 m . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 121.099 0.476 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.15 175.97 23.67 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 172.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -68.38 152.99 75.06 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.281 2.654 . . . . 0.0 109.956 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.3 m -65.06 -56.84 10.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.517 0.727 . . . . 0.0 110.027 -174.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.0 m -89.36 64.88 6.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.02 0.528 . . . . 0.0 109.872 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -76.42 76.78 3.16 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.225 0.61 . . . . 0.0 109.456 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -144.51 -147.26 0.21 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.102 1.761 . . . . 0.0 106.511 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -55.9 -24.88 40.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.964 0.906 . . . . 0.0 110.296 168.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -74.78 52.29 0.52 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.79 2.436 . . . . 0.0 111.468 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -66.88 -10.81 52.49 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.45 1.1 . . . . 0.0 111.11 169.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -55.33 -24.17 27.57 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.06 1.744 . . . . 0.0 110.996 170.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -88.72 133.75 34.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 175.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -126.13 168.08 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.727 1.611 . . . . 0.0 108.916 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -128.13 137.16 51.99 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.507 1.123 . . . . 0.0 110.36 -169.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.39 121.03 84.12 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 169.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.03 -23.12 46.86 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.38 2.72 . . . . 0.0 113.35 -170.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -89.5 -47.01 8.27 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.541 0.736 . . . . 0.0 111.094 -175.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.3 p -99.21 -17.58 18.06 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.642 0.777 . . . . 0.0 112.301 -170.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.0 m 63.58 29.75 15.14 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.661 1.184 . . . . 0.0 111.847 -174.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -82.47 133.72 35.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 173.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.3 m -99.03 132.63 44.19 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.493 0.717 . . . . 0.0 109.544 -176.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.8 p -141.38 142.13 33.76 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.14 0.976 . . . . 0.0 110.287 176.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 97.2 m -73.73 133.56 43.34 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.892 0.477 . . . . 0.0 111.196 170.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -66.02 -43.5 87.47 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.076 0.951 . . . . 0.0 109.573 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -76.22 136.01 39.7 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.692 1.197 . . . . 0.0 109.365 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.3 p -122.9 159.28 28.55 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.656 1.182 . . . . 0.0 110.461 -175.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -63.44 -30.81 71.88 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.942 172.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.6 m -59.83 -50.15 74.92 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.669 0.788 . . . . 0.0 110.68 173.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -57.74 -47.68 81.78 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.885 0.874 . . . . 0.0 110.518 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.1 m -62.16 -45.94 91.19 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.791 0.437 . . . . 0.0 111.353 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.73 -39.04 92.84 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 124.747 1.219 . . . . 0.0 111.58 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.51 -34.01 64.25 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.783 0.433 . . . . 0.0 111.211 172.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -99.23 17.73 19.28 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.143 1.377 . . . . 0.0 111.018 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 61.04 43.98 10.77 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.069 1.748 . . . . 0.0 112.566 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.0 mt -139.42 179.36 6.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.345 1.858 . . . . 0.0 108.226 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -134.31 149.79 50.92 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.787 0.835 . . . . 0.0 109.583 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.8 tp -76.11 126.06 30.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.504 0.721 . . . . 0.0 110.187 -177.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -89.32 98.54 11.82 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 168.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.48 -14.46 19.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.294 1.037 . . . . 0.0 113.418 -169.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -78.28 -46.02 21.3 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.315 -0.865 . . . . 0.0 109.449 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.3 p -90.01 -23.48 21.48 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.676 1.191 . . . . 0.0 111.507 177.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.6 m 52.43 47.61 24.36 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.975 2.11 . . . . 0.0 111.162 -168.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -121.0 157.77 29.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.026 1.73 . . . . 0.0 107.611 171.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.12 126.26 35.38 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -129.92 173.99 10.17 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.355 1.462 . . . . 0.0 109.379 -177.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 143.28 24.87 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 123.906 0.882 . . . . 0.0 111.668 -176.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 C-N-CA 122.629 2.219 . . . . 0.0 111.132 -173.387 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -123.12 177.13 16.62 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.534 1.54 . . . . 0.0 111.066 -176.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.7 144.18 58.88 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 124.199 3.266 . . . . 0.0 111.435 -171.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.9 m -61.39 -58.46 8.14 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.605 0.762 . . . . 0.0 110.214 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.1 m -74.2 158.38 34.23 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.814 0.446 . . . . 0.0 110.21 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.91 -42.51 3.08 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.677 1.191 . . . . 0.0 111.766 -174.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -65.71 0.96 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.284 1.034 . . . . 0.0 108.864 176.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -86.04 57.58 4.56 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.478 0.711 . . . . 0.0 110.126 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -90.8 -143.18 0.17 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.659 1.584 . . . . 0.0 109.331 172.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.1 m80 79.56 -51.67 0.41 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 126.189 1.796 . . . . 0.0 111.946 172.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.32 -11.12 38.65 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.307 1.443 . . . . 0.0 112.962 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.33 141.52 28.47 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.827 0.74 . . . . 0.0 112.144 -172.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.7 123.75 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 168.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -114.02 142.89 45.6 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.625 0.77 . . . . 0.0 111.698 -167.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.46 129.42 92.54 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 123.926 0.89 . . . . 0.0 110.207 -174.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -68.7 -11.27 31.44 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.953 3.102 . . . . 0.0 114.358 -172.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -117.5 -51.55 2.5 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 124.143 0.977 . . . . 0.0 111.268 -177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.8 p -99.21 -1.89 38.08 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -169.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.4 m 63.99 13.84 7.99 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.871 1.268 . . . . 0.0 113.954 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -72.89 135.87 45.18 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.652 0.66 . . . . 0.0 109.497 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.8 m -98.67 134.02 42.18 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.082 0.953 . . . . 0.0 109.436 -169.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 p -140.77 136.92 32.99 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.757 1.223 . . . . 0.0 109.096 175.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.7 m -88.26 144.74 26.25 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 122.871 0.468 . . . . 0.0 111.798 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -58.86 -46.2 88.32 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.576 1.15 . . . . 0.0 109.81 173.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -75.77 107.51 7.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.1 p -101.05 164.12 11.96 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.998 0.919 . . . . 0.0 111.564 -174.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.78 -34.85 65.64 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.435 1.094 . . . . 0.0 110.895 169.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.3 m -62.03 -47.49 84.51 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.95 0.9 . . . . 0.0 111.29 177.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -63.38 -45.08 92.75 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 122.916 0.486 . . . . 0.0 110.64 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.5 m -58.46 -45.74 88.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.3 0.24 . . . . 0.0 110.58 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.98 -41.65 92.47 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.584 1.154 . . . . 0.0 111.534 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.22 64.46 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.207 0.603 . . . . 0.0 111.792 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -99.1 13.78 31.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.981 1.313 . . . . 0.0 111.308 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 55.69 50.88 13.43 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 125.988 1.715 . . . . 0.0 112.31 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -140.28 176.4 8.8 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 127.291 2.236 . . . . 0.0 107.075 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -137.56 152.34 49.33 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 170.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 tp -81.32 139.4 35.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.197 0.999 . . . . 0.0 111.26 -170.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -89.37 115.62 26.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 167.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -64.18 -20.63 66.14 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -169.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.71 -58.71 3.05 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.538 0.735 . . . . 0.0 110.955 -172.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 t -98.2 -10.77 23.55 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.483 0.713 . . . . 0.0 111.842 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.5 m 59.01 51.54 7.1 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.036 1.334 . . . . 0.0 112.032 177.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -111.91 149.85 31.3 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 75.7 m -89.0 127.1 35.66 Favored 'General case' 0 C--N 1.338 0.08 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -137.05 -170.09 2.63 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.994 1.317 . . . . 0.0 109.972 -174.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -42.81 132.53 3.01 Favored Pre-proline 0 CA--C 1.539 0.527 0 C-N-CA 125.141 1.376 . . . . 0.0 112.307 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo . . . . . 0 N--CA 1.453 -0.861 0 C-N-CA 124.176 3.25 . . . . 0.0 112.886 173.264 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.95 169.8 34.18 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.72 126.77 23.52 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 124.546 3.497 . . . . 0.0 112.022 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 m -69.75 -49.38 53.63 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.268 0.627 . . . . 0.0 110.02 -177.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.5 p -90.01 22.19 3.33 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.78 1.232 . . . . 0.0 111.855 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 51.19 -112.52 0.64 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.953 1.701 . . . . 0.0 111.154 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -135.0 63.1 1.63 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.031 1.332 . . . . 0.0 107.716 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -136.82 -68.14 0.49 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.901 1.28 . . . . 0.0 107.866 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -90.11 70.21 7.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.28 1.032 . . . . 0.0 108.585 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -64.56 -15.23 60.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.267 1.427 . . . . 0.0 111.829 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.36 -10.81 26.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.084 1.353 . . . . 0.0 112.048 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -89.22 146.3 24.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.175 0.99 . . . . 0.0 109.294 175.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.57 145.52 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 125.103 1.361 . . . . 0.0 108.451 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -105.09 151.29 24.17 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.847 1.259 . . . . 0.0 111.299 -169.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -109.08 110.4 60.7 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 125.44 1.496 . . . . 0.0 107.422 169.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -77.22 2.15 7.96 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.96 2.44 . . . . 0.0 113.107 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -89.44 -44.94 9.8 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.822 0.849 . . . . 0.0 109.843 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.1 p -105.09 -26.6 12.04 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.898 1.279 . . . . 0.0 111.721 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m 84.56 8.75 0.46 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.013 2.125 . . . . 0.0 111.671 -171.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -68.89 155.74 39.71 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.7 m -127.65 155.28 44.15 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.62 0.768 . . . . 0.0 109.507 169.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -139.14 142.98 38.02 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.818 1.247 . . . . 0.0 108.403 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.0 m -73.47 127.76 33.61 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.153 0.581 . . . . 0.0 111.291 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.79 -44.14 96.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.477 1.111 . . . . 0.0 109.579 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -80.36 111.63 16.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.75 1.22 . . . . 0.0 108.538 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.4 p -103.37 170.84 7.71 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.391 1.076 . . . . 0.0 111.121 -175.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -58.92 -39.43 81.53 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.868 0.867 . . . . 0.0 110.328 169.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -62.72 -43.7 98.12 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.015 0.926 . . . . 0.0 110.829 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -59.58 -50.42 73.97 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.754 0.822 . . . . 0.0 110.517 177.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.6 m -63.11 -45.29 92.71 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.271 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -59.66 -40.9 89.27 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.481 1.112 . . . . 0.0 111.36 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.91 -30.58 69.14 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.249 0.62 . . . . 0.0 111.286 173.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -99.01 18.95 16.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.396 1.078 . . . . 0.0 111.093 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 59.16 43.49 17.14 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.368 1.867 . . . . 0.0 113.009 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.7 mt -140.17 -177.64 5.1 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.431 1.892 . . . . 0.0 108.167 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -130.42 149.99 51.84 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.69 0.796 . . . . 0.0 109.698 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 tp -81.27 136.9 35.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.284 1.034 . . . . 0.0 110.674 -175.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -89.8 111.21 22.15 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 168.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -62.3 -16.29 53.08 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -174.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -79.7 -56.97 3.9 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.786 0.721 . . . . 0.0 110.218 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -89.47 -22.92 22.24 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.789 0.835 . . . . 0.0 111.755 -176.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.7 m 58.88 52.51 6.44 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.092 1.757 . . . . 0.0 110.826 -169.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -121.92 154.2 37.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.962 1.705 . . . . 0.0 107.592 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 74.2 m -89.21 137.95 31.86 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -140.23 158.52 43.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.013 1.325 . . . . 0.0 109.737 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -73.4 131.39 82.84 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo . . . . . 0 N--CA 1.456 -0.726 0 C-N-CA 123.241 2.627 . . . . 0.0 110.687 -178.206 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 94.7 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.46 99.26 0.68 Allowed Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.906 1.241 . . . . 0.0 110.011 -176.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -47.31 131.28 18.22 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 124.505 3.47 . . . . 0.0 112.733 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.1 m -70.52 -52.78 19.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.633 0.773 . . . . 0.0 110.341 -175.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -82.44 -178.28 7.0 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.835 0.854 . . . . 0.0 110.911 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.68 -170.13 0.99 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.771 1.228 . . . . 0.0 110.651 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -88.14 -36.28 16.95 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.568 1.147 . . . . 0.0 108.033 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -50.11 -45.47 52.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.617 1.567 . . . . 0.0 109.794 168.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.43 58.48 1.71 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.749 2.019 . . . . 0.0 110.246 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -70.13 -19.22 63.23 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.581 1.552 . . . . 0.0 112.805 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.7 -9.12 48.53 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.304 1.042 . . . . 0.0 112.267 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -89.3 142.87 27.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.085 0.954 . . . . 0.0 108.994 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.19 163.16 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.525 1.53 . . . . 0.0 108.139 171.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -140.03 139.17 35.92 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.759 0.824 . . . . 0.0 109.705 -175.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.93 121.87 78.08 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.762 -178.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.63 -42.4 29.64 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 124.381 3.387 . . . . 0.0 114.644 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -93.0 -49.64 5.92 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.6 0.76 . . . . 0.0 111.894 -170.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -99.0 -12.08 20.93 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.9 m 69.51 18.72 7.71 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.805 1.242 . . . . 0.0 113.761 172.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -79.45 135.41 36.66 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.5 m -99.38 136.52 39.21 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 124.054 0.941 . . . . 0.0 110.136 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.8 p -141.38 146.47 36.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.117 0.967 . . . . 0.0 109.904 172.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.5 m -79.51 137.2 37.11 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.762 0.425 . . . . 0.0 111.0 170.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -65.13 -46.82 79.38 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 171.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -76.17 123.51 25.96 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.06 0.944 . . . . 0.0 108.946 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.9 p -116.97 167.22 11.33 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.416 1.086 . . . . 0.0 111.243 -174.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -56.53 -38.08 71.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.479 1.112 . . . . 0.0 110.965 172.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.7 p -64.64 -46.45 82.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.453 0.701 . . . . 0.0 111.284 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -60.21 -46.34 90.07 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.156 0.582 . . . . 0.0 110.689 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.66 -46.82 83.89 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.153 0.181 . . . . 0.0 111.183 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -60.05 -39.51 86.23 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.433 1.093 . . . . 0.0 111.303 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.17 64.88 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.465 0.706 . . . . 0.0 111.827 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -98.68 8.93 44.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.549 1.14 . . . . 0.0 110.925 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 64.16 44.93 4.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.006 1.723 . . . . 0.0 111.491 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -134.45 172.87 12.3 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.244 1.818 . . . . 0.0 108.503 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -126.26 128.02 46.53 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.986 0.914 . . . . 0.0 109.716 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.3 124.62 23.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.722 0.409 . . . . 0.0 110.243 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -89.14 89.75 8.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 169.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.74 -16.37 0.07 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.958 2.103 . . . . 0.0 116.35 -175.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -78.42 -42.02 31.27 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 119.128 0.877 . . . . 0.0 110.273 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -109.04 -11.46 14.95 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.522 1.129 . . . . 0.0 111.915 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.2 m 50.17 58.61 5.29 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.739 2.016 . . . . 0.0 112.215 -173.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -126.0 153.32 44.52 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 125.534 1.534 . . . . 0.0 107.985 170.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -89.17 126.42 35.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.246 0.618 . . . . 0.0 109.533 -174.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -110.63 145.79 37.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.414 1.486 . . . . 0.0 111.156 -172.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -78.04 130.63 72.01 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 125.417 1.487 . . . . 0.0 109.429 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 N--CA 1.458 -0.592 0 C-N-CA 123.209 2.606 . . . . 0.0 110.038 177.83 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.8 m . . . . . 0 CA--C 1.531 0.214 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.58 -164.22 10.88 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 -173.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -53.31 142.52 56.85 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 124.442 3.428 . . . . 0.0 112.998 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.4 m -73.84 -75.24 0.16 Allowed 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.749 0.82 . . . . 0.0 110.232 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 t -90.39 -155.75 0.39 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.944 0.898 . . . . 0.0 110.257 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.7 172.16 6.73 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.521 1.128 . . . . 0.0 111.125 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -88.59 54.5 3.06 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 mtp-105 -155.98 -57.22 0.09 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 128.541 2.736 . . . . 0.0 105.488 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.0 69.12 0.96 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.942 2.097 . . . . 0.0 109.412 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -83.0 -2.34 55.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.93 1.292 . . . . 0.0 111.19 171.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -84.39 48.69 1.54 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.371 1.469 . . . . 0.0 108.85 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -140.89 149.94 42.56 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.158 1.783 . . . . 0.0 108.282 -174.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.5 m -129.16 151.71 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 125.67 1.588 . . . . 0.0 108.786 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -123.67 135.97 54.21 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.811 1.244 . . . . 0.0 109.526 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.21 122.44 82.87 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 123.475 0.71 . . . . 0.0 109.64 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -50.22 -31.44 29.12 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 124.195 3.263 . . . . 0.0 115.682 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -99.87 -49.81 4.22 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.769 0.827 . . . . 0.0 111.756 -171.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.3 p -99.22 -17.41 18.13 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.673 0.789 . . . . 0.0 112.365 -170.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.1 m 64.52 20.21 12.07 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.989 1.316 . . . . 0.0 112.734 -174.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -66.73 130.79 44.34 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 169.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 68.5 m -99.4 144.9 27.98 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.067 0.547 . . . . 0.0 110.539 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.4 m -140.75 156.47 46.18 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.228 1.411 . . . . 0.0 107.855 171.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.3 m -69.51 146.31 51.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.849 0.357 . . . . 0.0 110.603 171.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -64.02 -47.02 81.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.169 0.987 . . . . 0.0 109.225 172.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -84.61 145.51 27.98 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.94 1.296 . . . . 0.0 109.463 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.0 p -134.7 162.08 33.35 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 124.132 0.973 . . . . 0.0 111.188 -171.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -59.14 -37.87 78.3 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 123.971 0.909 . . . . 0.0 110.807 171.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m -62.6 -49.12 76.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.093 0.957 . . . . 0.0 110.809 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -57.76 -47.72 81.7 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.32 1.048 . . . . 0.0 110.856 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.71 -46.32 88.68 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.292 0.237 . . . . 0.0 111.171 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.23 -37.57 83.52 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.922 1.289 . . . . 0.0 111.72 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.66 -36.5 69.62 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.979 0.511 . . . . 0.0 111.129 173.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.69 24.27 8.52 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.84 0.856 . . . . 0.0 112.115 176.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 61.04 42.19 12.89 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.598 1.559 . . . . 0.0 112.963 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -138.31 179.93 6.17 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.992 1.717 . . . . 0.0 108.196 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -134.61 155.89 49.67 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.377 0.671 . . . . 0.0 109.791 173.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.2 tp -83.74 133.75 34.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.326 1.05 . . . . 0.0 111.502 -171.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -89.59 102.89 15.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 104.659 -2.348 . . . . 0.0 104.659 167.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -60.35 -12.87 10.38 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -172.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -79.24 -53.75 6.65 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.524 0.73 . . . . 0.0 109.777 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -89.83 -26.18 20.67 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.438 1.095 . . . . 0.0 111.238 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 69.2 m 60.21 57.42 2.95 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.414 1.886 . . . . 0.0 110.312 -169.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -126.18 154.79 42.73 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.369 1.868 . . . . 0.0 108.46 170.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 84.6 m -89.2 136.19 33.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -176.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -140.23 161.92 36.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.457 1.503 . . . . 0.0 109.764 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -70.66 127.89 91.49 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 C-N-CA 122.843 2.362 . . . . 0.0 109.902 177.205 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 111.177 0.065 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -164.32 131.52 3.22 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.167 0.987 . . . . 0.0 108.371 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 54.74 52.17 12.58 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.57 1.148 . . . . 0.0 110.223 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.82 98.59 2.46 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.07 0.948 . . . . 0.0 110.067 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -133.68 84.51 44.77 Favored Pre-proline 0 CA--C 1.531 0.238 0 C-N-CA 124.742 1.217 . . . . 0.0 108.585 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -55.39 145.87 65.39 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.772 2.982 . . . . 0.0 112.364 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.0 m -66.76 144.79 56.12 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.12 0.568 . . . . 0.0 110.889 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.76 118.39 6.14 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -43.21 135.19 5.99 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 125.038 3.826 . . . . 0.0 113.402 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.8 m -63.06 -61.81 2.13 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 124.465 1.106 . . . . 0.0 111.215 -169.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -84.92 68.88 10.68 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.74 0.816 . . . . 0.0 110.046 -177.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 61.21 -102.86 0.13 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.281 1.433 . . . . 0.0 110.861 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -150.22 -47.01 0.13 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.27 1.428 . . . . 0.0 109.525 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -48.05 -28.97 3.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.93 2.092 . . . . 0.0 114.201 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -71.62 70.72 0.68 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.006 1.322 . . . . 0.0 110.127 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -71.65 -19.22 62.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.297 1.039 . . . . 0.0 111.566 175.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.94 -15.79 62.62 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.559 1.144 . . . . 0.0 111.335 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -89.87 144.81 25.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.127 0.971 . . . . 0.0 109.307 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 m -118.06 157.33 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 125.648 1.579 . . . . 0.0 107.614 169.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -134.32 139.33 45.6 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.703 0.801 . . . . 0.0 110.794 -170.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.1 129.28 93.11 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 123.78 0.832 . . . . 0.0 109.167 176.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -68.93 -27.09 30.94 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.233 2.622 . . . . 0.0 113.919 -169.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -97.98 -47.95 5.33 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.423 0.689 . . . . 0.0 112.138 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.2 p -99.57 -8.65 24.25 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.592 0.757 . . . . 0.0 112.801 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 m 67.19 18.92 10.4 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.707 1.203 . . . . 0.0 113.453 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -81.63 130.27 34.99 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 77.6 m -102.64 144.33 31.17 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.601 0.76 . . . . 0.0 111.834 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -140.59 145.7 37.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.011 1.324 . . . . 0.0 108.767 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.2 m -79.58 140.87 37.02 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.292 0.637 . . . . 0.0 111.984 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -66.72 -46.97 73.81 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.552 0.741 . . . . 0.0 109.191 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -74.41 150.72 39.86 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.294 1.038 . . . . 0.0 109.716 176.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 p -140.0 160.86 38.98 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.934 0.894 . . . . 0.0 111.268 -172.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.11 -31.94 72.45 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.436 0.694 . . . . 0.0 111.127 170.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 p -64.37 -47.99 77.19 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.145 0.578 . . . . 0.0 110.95 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -56.46 -51.98 66.41 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 122.851 0.46 . . . . 0.0 110.314 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.9 m -60.73 -43.28 98.08 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.39 0.276 . . . . 0.0 111.427 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.15 -39.0 88.45 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.949 0.9 . . . . 0.0 111.289 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.03 -24.48 66.21 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.945 0.498 . . . . 0.0 112.088 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -99.27 8.32 44.86 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.033 1.333 . . . . 0.0 110.934 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.67 47.28 8.35 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 125.98 1.712 . . . . 0.0 110.803 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -140.2 179.69 6.49 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.585 2.354 . . . . 0.0 107.533 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -135.14 163.85 29.0 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.61 0.764 . . . . 0.0 109.055 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 tp -84.96 132.19 34.39 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.313 0.645 . . . . 0.0 110.692 -173.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -89.25 103.07 15.73 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 168.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.31 -6.29 9.48 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -79.26 -55.96 4.7 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.778 0.831 . . . . 0.0 109.283 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.2 p -93.09 -21.5 19.67 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.974 1.309 . . . . 0.0 111.659 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.8 m 57.88 50.42 10.48 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 126.272 1.829 . . . . 0.0 110.904 -169.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.9 mtp-105 -114.39 159.38 20.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.87 1.668 . . . . 0.0 107.835 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.4 m -89.21 125.15 34.95 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -124.35 175.45 7.09 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.907 1.683 . . . . 0.0 109.674 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -53.89 142.93 43.23 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 123.492 0.717 . . . . 0.0 110.684 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.73 113.58 3.69 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.742 2.295 . . . . 0.0 110.044 -172.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -83.24 67.0 9.04 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.918 0.887 . . . . 0.0 108.859 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? . . . . . 0 C--O 1.251 1.167 0 C-N-CA 125.223 1.409 . . . . 0.0 108.063 -172.284 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -121.06 -178.16 3.68 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.425 1.49 . . . . 0.0 108.472 173.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 60.03 78.07 0.29 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.622 1.169 . . . . 0.0 110.804 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 63.79 59.7 1.12 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.214 1.406 . . . . 0.0 111.201 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -95.24 111.48 55.17 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 170.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -82.22 15.43 2.0 Allowed 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 123.006 2.471 . . . . 0.0 112.49 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.6 m -135.12 -169.38 2.36 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 124.884 1.273 . . . . 0.0 108.988 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.34 -166.42 10.77 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -54.69 130.65 41.48 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 124.31 3.34 . . . . 0.0 112.383 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.2 m -67.66 -27.93 67.27 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.795 0.438 . . . . 0.0 110.332 172.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.5 p -71.28 -10.43 59.75 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.274 1.03 . . . . 0.0 112.182 171.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 78.34 -33.0 0.16 Allowed 'General case' 0 C--N 1.344 0.337 0 C-N-CA 127.192 2.197 . . . . 0.0 113.892 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -89.23 -81.9 0.26 Allowed 'General case' 0 C--N 1.34 0.155 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.9 tpt85 -165.43 99.86 0.71 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 158.7 24.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.507 0.723 . . . . 0.0 111.349 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -146.01 -51.54 0.24 Allowed 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.456 1.103 . . . . 0.0 108.935 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.41 -27.42 67.83 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.506 1.122 . . . . 0.0 111.047 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -89.81 136.06 33.26 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.058 0.943 . . . . 0.0 109.636 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 m -105.34 133.55 49.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 168.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -117.95 139.89 50.51 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 124.148 0.979 . . . . 0.0 110.364 -171.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.87 126.14 62.36 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 124.257 1.023 . . . . 0.0 108.795 176.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.65 -14.95 21.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.082 2.521 . . . . 0.0 113.838 -174.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -89.42 -48.27 7.45 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.978 0.808 . . . . 0.0 110.289 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.7 p -99.43 -13.14 19.67 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.118 0.967 . . . . 0.0 112.17 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.7 m 61.71 31.65 18.51 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.829 1.252 . . . . 0.0 111.795 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -88.8 121.4 31.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.8 m -99.03 138.29 36.34 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.8 m -140.14 137.96 34.85 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.118 0.967 . . . . 0.0 108.444 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 75.5 m -75.53 121.8 22.92 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.145 0.578 . . . . 0.0 110.718 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.04 -39.81 94.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.557 0.743 . . . . 0.0 109.9 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -73.05 120.88 19.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.547 0.739 . . . . 0.0 109.032 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.1 p -114.79 162.2 17.17 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.196 0.998 . . . . 0.0 110.565 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.15 -32.32 62.01 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.809 1.244 . . . . 0.0 111.873 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 m -58.14 -49.0 78.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.162 0.985 . . . . 0.0 111.337 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -61.27 -49.05 78.63 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.406 0.682 . . . . 0.0 109.833 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.8 m -59.37 -46.31 89.0 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.038 0.535 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.45 -39.68 94.15 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.783 0.833 . . . . 0.0 111.106 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.4 -23.59 65.91 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.104 0.561 . . . . 0.0 112.221 173.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -99.08 6.7 46.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.881 1.272 . . . . 0.0 111.142 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.24 48.91 7.66 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 125.558 1.543 . . . . 0.0 110.629 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 mt -140.09 -178.04 5.27 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.758 2.423 . . . . 0.0 107.111 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.3 mm-40 -137.95 155.12 49.21 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.789 0.835 . . . . 0.0 109.803 173.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.3 tp -74.3 125.88 29.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.282 0.633 . . . . 0.0 110.364 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -89.1 98.0 11.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.86 -7.84 9.22 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -169.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -78.88 -55.94 4.77 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.0 p -89.92 -20.79 22.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.572 1.149 . . . . 0.0 111.624 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.7 m 57.58 51.04 10.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.716 2.007 . . . . 0.0 110.916 -169.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -119.62 156.61 30.06 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.736 1.615 . . . . 0.0 107.941 173.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.6 m -89.31 125.32 35.06 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -139.33 147.81 42.07 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.238 1.415 . . . . 0.0 108.415 -177.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -66.49 143.77 98.35 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-O 119.315 -0.374 . . . . 0.0 111.321 -174.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.494 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 40.9 Cg_endo -68.39 -63.32 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.71 2.274 . . . . 0.0 110.517 177.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 74.9 ttt-85 179.1 87.64 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 176.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.09 -1.433 . . . . 0.0 109.717 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 111.301 0.112 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 -97.69 -14.03 21.13 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.577 1.151 . . . . 0.0 111.099 172.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.23 60.7 4.44 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.743 1.217 . . . . 0.0 109.716 -177.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -163.08 178.42 8.31 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.475 1.11 . . . . 0.0 109.771 -172.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -147.68 77.36 10.4 Favored Pre-proline 0 CA--C 1.537 0.446 0 C-N-CA 124.02 0.928 . . . . 0.0 110.865 -172.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -46.94 129.56 14.93 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 124.581 3.521 . . . . 0.0 113.222 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 m -87.69 176.24 7.51 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.983 0.913 . . . . 0.0 111.169 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.67 171.23 55.0 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 174.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -69.63 146.26 60.47 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.915 3.077 . . . . 0.0 111.904 -173.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.5 m -86.23 -48.61 8.39 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.687 0.795 . . . . 0.0 109.694 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 p -85.32 -79.03 0.24 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.591 1.156 . . . . 0.0 111.191 -173.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.04 -150.22 0.3 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.432 1.093 . . . . 0.0 110.01 -175.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -88.25 -36.4 16.75 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.871 0.76 . . . . 0.0 112.188 -169.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -94.95 43.27 1.09 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.275 1.03 . . . . 0.0 110.153 -177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 21.76 0.2 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -169.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -63.66 -22.13 66.74 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.083 0.856 . . . . 0.0 113.15 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.93 -30.96 71.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.903 0.881 . . . . 0.0 110.844 171.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -89.71 139.82 30.19 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.853 1.261 . . . . 0.0 109.135 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -110.65 131.88 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -119.0 138.92 52.48 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 124.083 0.953 . . . . 0.0 110.853 -169.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -82.68 125.32 76.06 Favored Pre-proline 0 N--CA 1.453 -0.312 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.64 -22.72 23.86 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.67 2.247 . . . . 0.0 113.121 -170.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -89.25 -41.58 12.11 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.867 0.758 . . . . 0.0 111.272 -174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -99.18 -17.87 17.93 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.966 0.906 . . . . 0.0 111.852 -176.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.3 m 68.97 13.1 8.78 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.363 1.465 . . . . 0.0 112.468 -176.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -71.15 124.18 23.86 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 70.8 m -99.39 142.34 31.0 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.894 0.877 . . . . 0.0 109.452 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -140.3 142.42 35.68 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.65 1.18 . . . . 0.0 108.256 173.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.6 m -82.69 130.19 35.08 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 122.522 0.329 . . . . 0.0 111.479 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -67.76 -40.7 84.05 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.357 0.663 . . . . 0.0 109.42 171.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -82.65 147.18 28.68 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.798 1.239 . . . . 0.0 109.741 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.9 p -138.13 163.68 31.06 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.716 0.807 . . . . 0.0 111.345 -171.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.69 -30.05 70.2 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.555 0.742 . . . . 0.0 111.255 174.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.3 p -65.18 -46.29 81.4 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.631 0.372 . . . . 0.0 110.659 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 -61.33 -49.4 77.12 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 122.944 0.498 . . . . 0.0 110.572 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.5 m -57.91 -46.75 84.49 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -63.54 -38.72 92.22 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.23 1.012 . . . . 0.0 112.045 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.72 -27.84 66.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.926 0.49 . . . . 0.0 111.518 172.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -99.45 14.61 29.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.027 1.331 . . . . 0.0 111.244 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 59.88 48.81 8.51 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.791 1.636 . . . . 0.0 111.276 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.4 mt -140.7 -178.08 5.36 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.35 2.26 . . . . 0.0 108.27 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -138.01 147.55 44.29 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.894 0.878 . . . . 0.0 110.295 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 tp -79.48 129.18 34.23 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.807 0.843 . . . . 0.0 110.365 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -89.42 99.87 12.78 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 168.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -52.75 -22.81 5.7 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.727 1.611 . . . . 0.0 113.971 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -78.61 -34.67 46.51 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.543 0.611 . . . . 0.0 110.901 -174.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.8 p -107.9 -17.78 13.97 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.121 1.369 . . . . 0.0 111.561 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.8 m 50.07 43.99 25.77 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.863 2.065 . . . . 0.0 112.425 -169.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -113.33 158.82 20.09 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.468 1.507 . . . . 0.0 107.724 170.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 70.8 m -89.33 144.2 26.26 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -140.15 -174.3 3.89 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.814 2.046 . . . . 0.0 108.783 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -49.94 146.99 7.22 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 124.119 0.968 . . . . 0.0 112.356 -174.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -70.68 76.28 1.52 Allowed 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 124.119 3.213 . . . . 0.0 108.533 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -176.01 -55.89 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 127.159 2.184 . . . . 0.0 106.1 -168.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? . . . . . 0 C--O 1.25 1.116 0 C-N-CA 125.141 1.376 . . . . 0.0 108.017 175.675 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.4 ttp-105 -111.81 -52.72 2.77 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 125.046 1.338 . . . . 0.0 109.527 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -112.15 -174.47 2.47 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.474 1.51 . . . . 0.0 109.568 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.3 mp0 -58.43 116.59 3.74 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.082 0.953 . . . . 0.0 110.042 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -141.23 152.58 64.82 Favored Pre-proline 0 CA--C 1.531 0.229 0 C-N-CA 124.988 1.315 . . . . 0.0 108.61 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.47 80.87 2.18 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.499 2.8 . . . . 0.0 108.925 174.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -65.05 149.09 50.48 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.436 1.094 . . . . 0.0 111.58 -175.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.7 163.06 53.62 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.13 129.81 15.64 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.568 2.846 . . . . 0.0 111.081 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 86.2 m -67.06 -58.35 5.07 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.859 0.864 . . . . 0.0 109.904 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.4 p -78.42 149.72 33.23 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.717 0.807 . . . . 0.0 110.245 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.27 -20.91 66.63 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.17 0.588 . . . . 0.0 111.365 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -89.62 165.66 14.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.796 1.239 . . . . 0.0 110.481 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -75.32 85.94 2.5 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 174.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -57.73 160.24 4.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -171.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -176.83 -41.45 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 128.179 2.591 . . . . 0.0 107.363 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.1 mt -60.28 -35.17 74.93 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.46 1.104 . . . . 0.0 110.426 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -89.25 136.69 32.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.034 0.934 . . . . 0.0 109.15 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.6 m -107.7 129.23 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 169.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -109.11 141.82 40.74 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.509 1.124 . . . . 0.0 110.532 -173.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -99.16 116.4 65.17 Favored Pre-proline 0 N--CA 1.452 -0.335 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -72.85 -4.4 15.31 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.998 2.465 . . . . 0.0 112.911 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -88.59 -45.8 9.58 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 123.463 0.705 . . . . 0.0 109.877 -174.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.1 p -99.79 -32.02 11.23 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.31 1.044 . . . . 0.0 111.512 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.6 m 87.31 1.16 0.47 Allowed 'General case' 0 C--N 1.343 0.309 0 C-N-CA 127.835 2.454 . . . . 0.0 112.271 -169.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -66.42 143.11 57.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 118.523 0.601 . . . . 0.0 109.792 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.8 m -114.87 154.15 29.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.282 1.033 . . . . 0.0 110.03 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -140.28 145.21 37.0 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.183 0.993 . . . . 0.0 108.509 169.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.7 m -76.8 124.9 28.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.201 0.6 . . . . 0.0 110.352 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.51 -36.04 79.4 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.959 0.903 . . . . 0.0 110.23 173.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -77.07 116.93 18.15 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -107.8 162.21 14.2 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.183 0.993 . . . . 0.0 110.811 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.5 -35.96 68.61 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.995 0.918 . . . . 0.0 110.712 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 t -62.68 -49.1 76.46 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.837 0.855 . . . . 0.0 110.557 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -57.11 -44.41 83.22 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.195 0.598 . . . . 0.0 110.595 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.5 m -66.18 -46.18 78.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.977 0.511 . . . . 0.0 111.321 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -64.1 -33.78 76.56 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.992 0.917 . . . . 0.0 111.877 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.37 -25.58 67.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.52 0.728 . . . . 0.0 111.978 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -101.13 10.66 40.66 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.625 1.57 . . . . 0.0 111.653 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 59.62 48.91 8.93 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.96 1.704 . . . . 0.0 111.195 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.5 mt -135.52 179.24 6.46 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.234 1.814 . . . . 0.0 108.039 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -132.18 143.82 50.23 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.203 1.001 . . . . 0.0 109.645 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.5 tp -72.47 133.99 45.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.776 0.831 . . . . 0.0 109.905 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -89.33 117.96 28.66 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -68.01 -15.32 63.55 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -61.53 1.97 Allowed 'General case' 0 C--N 1.341 0.207 0 CA-C-N 118.646 0.657 . . . . 0.0 109.945 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.3 p -89.48 -25.5 21.42 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.693 0.797 . . . . 0.0 112.16 -171.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.2 m 62.23 52.84 3.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.719 1.608 . . . . 0.0 110.735 -169.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -117.06 154.76 30.42 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.793 1.637 . . . . 0.0 108.02 169.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.1 m -89.31 126.63 35.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -135.84 159.57 41.26 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.666 1.186 . . . . 0.0 109.542 -174.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -66.39 143.26 98.17 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 123.195 0.598 . . . . 0.0 110.284 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -67.25 -48.22 1.85 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.182 2.588 . . . . 0.0 110.453 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -172.51 -60.71 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.7 mtm105 . . . . . 0 C--O 1.252 1.217 0 CA-C-O 117.636 -1.173 . . . . 0.0 109.917 171.696 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 110.76 -0.089 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -85.01 82.52 8.42 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -75.51 78.42 2.54 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.0 0.92 . . . . 0.0 111.355 -172.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -83.54 39.91 0.7 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.214 1.005 . . . . 0.0 110.036 169.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -151.22 156.63 35.2 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 126.207 1.803 . . . . 0.0 108.265 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -77.85 74.12 5.38 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.415 2.744 . . . . 0.0 111.63 -174.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.0 m -135.82 168.48 19.23 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.194 1.397 . . . . 0.0 109.262 171.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.36 176.06 20.03 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.731 1.157 . . . . 0.0 111.684 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.11 123.51 8.88 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 123.936 3.091 . . . . 0.0 110.683 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.19 -45.71 13.57 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.137 0.975 . . . . 0.0 110.274 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 t -79.29 175.3 10.72 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.566 0.746 . . . . 0.0 109.367 170.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.64 -39.31 91.28 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 172.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -149.11 -66.73 0.22 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.125 0.97 . . . . 0.0 109.645 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' H ' ' NE ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -88.3 78.13 8.06 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.975 0.91 . . . . 0.0 112.068 -171.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 17.05 2.37 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 173.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -68.71 -26.63 65.37 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.545 0.738 . . . . 0.0 111.237 172.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.7 -10.31 59.12 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.994 0.918 . . . . 0.0 111.62 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -108.68 147.38 31.99 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.728 1.211 . . . . 0.0 109.962 -177.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.7 m -99.94 142.74 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 168.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -139.7 135.22 32.95 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.674 0.79 . . . . 0.0 110.633 -169.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -80.57 124.18 82.23 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 171.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -70.57 -25.29 25.0 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.845 2.363 . . . . 0.0 112.955 -173.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -89.27 -46.71 8.57 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.46 0.704 . . . . 0.0 110.767 -174.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -99.01 -11.2 21.73 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.679 0.791 . . . . 0.0 112.057 -172.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.4 m 65.4 21.41 11.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.694 1.198 . . . . 0.0 111.776 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -72.76 105.1 4.19 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.099 0.96 . . . . 0.0 108.465 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.4 m -99.87 143.38 30.16 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.173 0.989 . . . . 0.0 110.726 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -141.0 150.03 42.53 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.418 1.487 . . . . 0.0 108.165 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 82.8 m -78.79 133.72 37.05 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -71.47 -53.31 14.38 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -68.53 127.7 33.95 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.967 1.307 . . . . 0.0 109.916 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.4 p -109.87 161.09 15.8 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.27 1.028 . . . . 0.0 111.224 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.3 -31.45 72.26 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.663 0.785 . . . . 0.0 111.413 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 p -63.26 -47.13 83.68 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.168 0.587 . . . . 0.0 110.662 174.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -58.95 -46.41 88.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.168 0.587 . . . . 0.0 110.63 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.3 m -60.42 -46.09 91.28 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.002 0.365 . . . . 0.0 111.268 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -61.11 -32.97 72.65 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.87 1.268 . . . . 0.0 111.788 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.9 -30.16 68.83 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.122 0.419 . . . . 0.0 111.988 173.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -100.13 15.56 27.01 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.323 1.049 . . . . 0.0 111.198 174.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 58.87 48.46 11.11 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.358 1.463 . . . . 0.0 111.177 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.9 mt -134.61 176.38 8.68 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.501 1.92 . . . . 0.0 107.737 175.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -135.87 150.46 49.38 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.508 0.723 . . . . 0.0 110.073 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.6 tp -74.99 128.41 35.5 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.272 1.029 . . . . 0.0 110.071 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -89.5 107.18 18.93 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 106.671 -1.604 . . . . 0.0 106.671 169.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -57.54 -19.85 27.94 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -78.87 -50.11 11.78 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.301 0.641 . . . . 0.0 110.394 -173.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -98.75 -17.49 18.48 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.289 1.436 . . . . 0.0 111.768 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 38.7 m 50.5 54.69 10.71 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 126.762 2.025 . . . . 0.0 112.426 -172.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -118.73 161.37 20.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.877 1.671 . . . . 0.0 107.656 169.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -89.25 125.62 35.17 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -134.85 -176.46 4.25 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.478 1.511 . . . . 0.0 109.132 -175.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -52.18 136.78 39.19 Favored Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 123.906 0.882 . . . . 0.0 111.469 -173.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.92 104.1 1.7 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.188 2.592 . . . . 0.0 110.613 -174.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -79.84 88.02 5.28 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 ptm85 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.004 -1.474 . . . . 0.0 110.03 178.421 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.96 0.409 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -87.92 -50.13 6.63 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.683 1.193 . . . . 0.0 110.611 -173.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -73.01 -70.63 0.35 Allowed 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -79.16 124.49 28.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -115.85 93.42 37.77 Favored Pre-proline 0 CA--C 1.534 0.332 0 C-N-CA 124.485 1.114 . . . . 0.0 108.591 -175.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.16 110.79 3.14 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.809 2.339 . . . . 0.0 109.682 -174.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 m -61.31 146.77 46.92 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.165 0.586 . . . . 0.0 110.939 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.01 172.65 53.22 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.006 0.812 . . . . 0.0 111.742 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -75.96 131.13 12.91 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 123.209 2.606 . . . . 0.0 110.271 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.9 m -68.13 -42.81 79.63 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.869 0.868 . . . . 0.0 108.875 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t -71.61 -170.61 0.55 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.269 1.428 . . . . 0.0 109.553 169.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.11 -56.02 15.36 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 171.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.21 -60.55 0.62 Allowed 'General case' 0 C--N 1.34 0.162 0 C-N-CA 125.259 1.424 . . . . 0.0 108.159 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -73.69 86.4 1.65 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.04 1.336 . . . . 0.0 111.335 -175.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -90.87 40.39 1.02 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.883 0.873 . . . . 0.0 110.812 169.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -79.6 -36.12 38.54 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.996 0.519 . . . . 0.0 110.765 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -84.83 39.6 0.76 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.191 0.997 . . . . 0.0 110.5 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -147.39 162.86 38.14 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.921 1.288 . . . . 0.0 109.731 -172.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.8 m -125.0 129.61 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 168.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -108.9 130.0 55.43 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.971 0.908 . . . . 0.0 110.447 -172.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -67.21 130.66 93.6 Favored Pre-proline 0 CA--C 1.536 0.406 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -66.44 -42.25 10.26 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.937 2.425 . . . . 0.0 113.344 -169.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -89.07 -30.57 18.57 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -169.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.3 p -99.46 -22.98 15.27 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.344 0.658 . . . . 0.0 111.808 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 91.7 m 61.5 26.76 16.44 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.884 1.273 . . . . 0.0 112.575 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -90.14 134.46 34.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 171.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.4 m -101.58 155.53 18.03 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.099 0.56 . . . . 0.0 112.201 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -130.5 142.06 50.49 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 169.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 40.6 m -70.84 137.25 49.28 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.036 0.446 . . . . 0.0 111.172 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -71.2 -44.08 66.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.862 1.265 . . . . 0.0 109.246 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -80.16 146.98 31.53 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.012 1.325 . . . . 0.0 109.172 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.6 p -138.66 160.57 39.29 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.749 0.82 . . . . 0.0 110.624 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.97 -24.19 57.01 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.335 1.054 . . . . 0.0 112.282 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.6 m -62.94 -51.31 67.39 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.614 0.643 . . . . 0.0 110.57 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -61.19 -47.07 87.83 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.1 m -60.32 -46.26 90.53 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 122.815 0.446 . . . . 0.0 111.068 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -60.46 -41.42 94.11 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.962 0.905 . . . . 0.0 110.847 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.3 -27.92 66.3 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.733 0.413 . . . . 0.0 111.862 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -98.44 9.29 43.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.006 1.323 . . . . 0.0 111.023 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 61.94 44.97 7.82 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.97 1.708 . . . . 0.0 111.992 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.4 mt -140.26 -177.06 4.85 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.503 2.321 . . . . 0.0 107.655 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.5 mm-40 -138.47 159.37 42.25 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.216 1.007 . . . . 0.0 109.327 173.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -75.35 131.06 39.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.778 0.431 . . . . 0.0 110.467 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -89.13 100.24 13.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 169.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.79 -13.15 13.38 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -169.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -79.13 -57.03 3.93 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.697 0.681 . . . . 0.0 109.713 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.4 p -91.48 -20.08 22.13 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.568 1.147 . . . . 0.0 111.496 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 58.8 m 56.49 50.86 12.19 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 126.759 2.024 . . . . 0.0 111.775 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -110.84 162.01 15.23 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.928 1.691 . . . . 0.0 107.558 168.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.4 m -89.31 127.14 35.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -139.76 157.64 45.41 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.287 1.435 . . . . 0.0 109.163 -175.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -69.15 129.65 91.85 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.52 -51.45 1.0 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.476 2.117 . . . . 0.0 111.055 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.89 91.6 6.5 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.776 0.83 . . . . 0.0 110.236 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 C--O 1.251 1.134 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 169.189 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -59.81 137.33 58.09 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.102 0.961 . . . . 0.0 110.856 -175.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -66.08 -51.61 56.51 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.597 0.759 . . . . 0.0 110.955 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -84.15 58.78 4.94 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.909 0.884 . . . . 0.0 110.382 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -98.47 118.92 62.65 Favored Pre-proline 0 N--CA 1.453 -0.318 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.91 76.84 3.6 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 123.301 2.668 . . . . 0.0 110.265 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -81.75 176.97 9.17 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.063 1.345 . . . . 0.0 111.527 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.36 171.5 31.6 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.78 135.5 35.75 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.861 3.04 . . . . 0.0 110.848 -176.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.8 m -76.79 -44.49 32.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.496 0.718 . . . . 0.0 109.761 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.4 p -76.42 -179.94 5.48 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.141 0.976 . . . . 0.0 111.218 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -67.41 -82.45 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.14 1.376 . . . . 0.0 111.279 -171.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -151.14 -74.02 0.15 Allowed 'General case' 0 C--N 1.339 0.122 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -1.57 11.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.045 0.938 . . . . 0.0 113.117 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -76.1 59.02 1.28 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.092 1.757 . . . . 0.0 109.592 170.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -72.79 -15.5 61.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.597 1.559 . . . . 0.0 111.721 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.5 mt -64.74 -13.83 56.42 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.715 1.206 . . . . 0.0 111.828 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -89.17 134.54 33.98 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 169.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.73 137.99 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 125.128 1.371 . . . . 0.0 108.424 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.13 148.35 25.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.167 1.387 . . . . 0.0 111.179 -169.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -102.17 118.17 59.67 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 125.116 1.367 . . . . 0.0 107.946 172.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.88 -10.01 19.7 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.23 2.62 . . . . 0.0 113.51 -172.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -89.38 -47.12 8.23 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.743 0.701 . . . . 0.0 110.248 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.9 p -99.63 -22.42 15.44 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.845 1.258 . . . . 0.0 111.967 -174.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m 77.31 3.64 3.18 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 126.071 1.748 . . . . 0.0 112.549 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -73.35 164.45 26.65 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.6 m -136.38 158.01 45.43 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.454 0.702 . . . . 0.0 110.081 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.8 p -140.4 147.83 40.33 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.406 1.082 . . . . 0.0 108.871 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.9 m -78.93 130.09 35.21 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.897 0.479 . . . . 0.0 111.164 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -61.22 -45.2 95.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.209 1.004 . . . . 0.0 109.541 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -77.22 115.07 16.69 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.562 1.145 . . . . 0.0 108.863 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -104.7 164.38 11.81 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.021 0.928 . . . . 0.0 111.115 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -58.03 -35.7 71.66 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.167 0.987 . . . . 0.0 110.523 169.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -62.73 -46.78 86.5 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.721 0.808 . . . . 0.0 110.669 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -60.68 -48.53 81.36 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.666 0.386 . . . . 0.0 110.36 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.9 m -59.94 -45.34 92.96 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.382 0.273 . . . . 0.0 110.911 176.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -61.57 -35.57 78.19 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.091 0.956 . . . . 0.0 111.484 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.73 -24.09 67.63 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.38 0.672 . . . . 0.0 111.893 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -99.55 8.49 44.42 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.907 1.283 . . . . 0.0 111.515 172.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 60.08 50.96 6.07 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.931 1.692 . . . . 0.0 110.929 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -138.93 173.46 11.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.289 1.836 . . . . 0.0 108.546 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -119.2 150.19 40.48 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 125.017 1.327 . . . . 0.0 109.035 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.3 tp -83.92 137.48 33.63 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.423 0.689 . . . . 0.0 109.952 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -89.38 112.32 23.4 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -63.04 -18.77 63.71 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -173.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -79.22 -51.65 9.2 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.468 0.576 . . . . 0.0 110.955 -174.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.5 t -107.43 -11.94 15.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.626 1.17 . . . . 0.0 112.662 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.0 m 54.78 57.17 5.91 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.517 1.527 . . . . 0.0 112.016 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -125.38 154.78 41.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.918 1.687 . . . . 0.0 107.161 169.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 84.3 m -88.87 142.73 27.41 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -140.22 159.58 41.88 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.455 1.502 . . . . 0.0 110.203 -173.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -69.59 138.94 88.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -45.02 -62.69 0.41 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 124.458 3.439 . . . . 0.0 112.891 175.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.85 77.97 0.06 Allowed 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 175.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 83.0 mmt-85 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 124.88 1.272 . . . . 0.0 109.489 -176.161 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -80.61 71.38 7.48 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.854 0.862 . . . . 0.0 109.76 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -82.05 49.6 1.42 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.222 1.009 . . . . 0.0 111.007 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.0 55.41 3.48 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.869 1.268 . . . . 0.0 110.315 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -98.94 111.13 59.98 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 124.937 1.295 . . . . 0.0 108.699 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -76.17 166.5 27.66 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.786 2.324 . . . . 0.0 110.472 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.1 m -64.58 143.18 58.1 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.662 0.385 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.79 171.49 34.58 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -60.67 128.47 25.87 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.778 2.985 . . . . 0.0 111.549 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.88 -44.03 17.38 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 169.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.6 t -76.41 -81.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.822 0.849 . . . . 0.0 110.59 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -145.67 -68.35 0.29 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.794 0.838 . . . . 0.0 110.432 -174.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ptt-85 -104.16 -42.31 5.56 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 124.599 1.16 . . . . 0.0 109.742 -172.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -171.16 120.17 0.51 Allowed 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 126.654 1.981 . . . . 0.0 105.657 170.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.73 134.55 24.77 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.378 1.071 . . . . 0.0 111.131 175.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -129.36 -54.08 1.18 Allowed 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.641 1.176 . . . . 0.0 109.735 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.3 mt -81.41 38.54 0.49 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.791 1.236 . . . . 0.0 110.865 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -150.16 147.68 28.03 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.109 1.364 . . . . 0.0 109.049 -171.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.76 137.73 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 168.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -125.7 133.92 51.98 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 124.277 1.031 . . . . 0.0 110.172 -170.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -70.69 124.83 91.61 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.51 -23.75 36.92 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.899 2.4 . . . . 0.0 113.475 -170.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -89.19 -47.27 8.18 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.159 0.584 . . . . 0.0 110.806 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.6 p -99.36 -14.82 19.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.106 0.962 . . . . 0.0 112.167 -173.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.3 m 65.69 20.09 11.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.232 1.413 . . . . 0.0 112.469 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -76.46 122.84 25.12 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 59.5 m -99.84 149.48 23.34 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.105 0.962 . . . . 0.0 111.345 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.6 p -140.15 146.81 39.28 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.421 1.488 . . . . 0.0 107.227 169.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.5 m -70.46 136.98 49.93 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 121.014 0.435 . . . . 0.0 111.73 -173.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -72.17 -45.76 59.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.61 1.164 . . . . 0.0 109.406 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -75.98 126.75 31.59 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.286 1.034 . . . . 0.0 108.613 173.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.0 p -106.29 163.47 12.8 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.062 0.945 . . . . 0.0 110.755 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -66.0 -31.56 72.53 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.986 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.7 t -61.81 -48.11 82.08 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.511 0.724 . . . . 0.0 110.358 173.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -51.33 -46.38 62.6 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.61 1.164 . . . . 0.0 110.441 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.12 -40.38 74.91 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.965 0.506 . . . . 0.0 112.309 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -62.79 -27.04 69.03 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.211 1.004 . . . . 0.0 111.643 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.51 -37.26 57.08 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.924 0.889 . . . . 0.0 112.367 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.33 23.72 14.09 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.029 0.932 . . . . 0.0 111.579 176.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 57.68 48.86 13.32 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.432 1.493 . . . . 0.0 111.487 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.6 mt -127.99 177.4 6.9 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.849 1.659 . . . . 0.0 107.599 171.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -133.67 159.87 39.23 Favored 'General case' 0 C--O 1.228 -0.053 0 C-N-CA 123.334 0.653 . . . . 0.0 109.57 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 tp -72.17 142.04 49.07 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.38 1.072 . . . . 0.0 110.624 -175.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -88.81 112.54 23.35 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 171.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.31 -27.14 54.65 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.187 0.595 . . . . 0.0 112.503 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -79.43 -63.47 1.41 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.806 0.843 . . . . 0.0 111.099 -173.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -97.62 -21.44 17.05 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.731 0.812 . . . . 0.0 111.901 -172.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . 0.29 68.8 m 67.19 56.52 0.63 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.19 1.396 . . . . 0.0 111.865 -178.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -122.78 159.59 27.74 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 127.243 2.217 . . . . 0.0 106.866 168.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 79.7 m -89.11 136.26 33.11 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.36 165.1 28.32 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.364 1.466 . . . . 0.0 110.89 -172.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -68.89 119.47 69.71 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 168.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -37.81 112.66 0.12 Allowed 'Trans proline' 0 CA--C 1.537 0.671 1 C-N-CA 125.537 4.158 . . . . 0.0 116.304 -171.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.7 -46.98 0.1 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.404 1.082 . . . . 0.0 110.992 169.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 126.254 1.822 . . . . 0.0 108.061 175.573 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -68.01 -51.71 43.96 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.305 0.642 . . . . 0.0 109.349 175.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -72.23 170.25 14.45 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.493 0.717 . . . . 0.0 110.678 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -66.77 135.73 54.41 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 169.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -148.88 134.31 9.53 Favored Pre-proline 0 CA--C 1.532 0.286 0 C-N-CA 124.15 0.98 . . . . 0.0 108.493 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.0 -111.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.482 2.788 . . . . 0.0 109.313 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m -67.19 142.35 57.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.057 0.943 . . . . 0.0 110.88 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.9 -178.63 40.54 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.55 1.071 . . . . 0.0 110.755 175.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.61 126.98 10.58 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.461 2.774 . . . . 0.0 110.518 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.2 m -71.41 -52.49 18.28 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.866 0.866 . . . . 0.0 111.115 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.3 t -74.9 -73.81 0.23 Allowed 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.821 0.448 . . . . 0.0 110.313 -173.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -144.59 -68.97 0.3 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.469 1.108 . . . . 0.0 108.474 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -141.73 -76.43 0.29 Allowed 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.515 1.126 . . . . 0.0 109.183 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 -82.78 58.42 4.29 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.149 0.98 . . . . 0.0 111.722 -170.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.86 126.51 30.8 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -144.28 -44.25 0.25 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.45 1.1 . . . . 0.0 110.726 -173.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.22 -11.08 37.21 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.15 0.98 . . . . 0.0 111.533 173.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -89.59 131.79 35.42 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.121 1.368 . . . . 0.0 108.678 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -99.95 133.01 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 169.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -119.83 138.98 53.05 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.304 1.042 . . . . 0.0 111.417 -169.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -72.08 119.37 74.17 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 123.957 0.903 . . . . 0.0 108.863 172.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -52.61 -33.8 60.33 Favored 'Trans proline' 0 CA--C 1.534 0.482 0 C-N-CA 123.79 2.993 . . . . 0.0 115.306 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -89.09 -46.37 8.88 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.432 0.693 . . . . 0.0 111.468 -169.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -99.05 -12.76 20.26 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.669 0.788 . . . . 0.0 111.954 -173.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.7 m 63.5 22.62 13.29 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.067 1.347 . . . . 0.0 111.759 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -76.45 116.95 17.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.876 0.87 . . . . 0.0 108.776 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.7 m -99.78 145.29 27.87 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.699 0.799 . . . . 0.0 111.691 -177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.6 t -140.83 145.73 36.64 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.26 1.424 . . . . 0.0 107.897 169.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.5 m -83.99 134.46 34.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 122.654 0.382 . . . . 0.0 111.294 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.73 -51.42 67.22 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 171.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -76.97 105.4 8.02 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.4 p -99.73 177.17 5.22 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.683 1.193 . . . . 0.0 110.943 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -56.8 -38.47 72.59 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.288 1.035 . . . . 0.0 110.846 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.7 p -67.53 -41.4 84.43 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.126 0.57 . . . . 0.0 111.339 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.23 -50.92 71.36 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.269 0.486 . . . . 0.0 110.375 175.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.2 m -64.68 -47.1 79.63 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.311 0.244 . . . . 0.0 111.421 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -62.33 -32.41 73.17 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.649 1.18 . . . . 0.0 112.09 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.09 -28.16 67.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.181 0.593 . . . . 0.0 111.849 173.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -102.29 12.74 36.18 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.769 1.228 . . . . 0.0 111.711 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 59.29 49.47 8.94 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.723 1.609 . . . . 0.0 111.011 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -133.92 170.04 16.21 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.936 1.694 . . . . 0.0 108.313 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -121.28 141.6 50.75 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.885 1.274 . . . . 0.0 109.484 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 tp -77.33 136.65 38.48 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.0 0.92 . . . . 0.0 110.646 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -89.31 113.66 24.96 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 169.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -53.72 -36.3 62.12 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.342 1.057 . . . . 0.0 113.266 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -78.9 -49.15 13.33 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.203 0.456 . . . . 0.0 111.819 -169.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.8 p -89.6 -24.2 21.75 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.359 0.664 . . . . 0.0 111.554 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.0 m 55.53 54.89 7.88 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.339 1.456 . . . . 0.0 110.256 -169.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -122.0 154.72 36.87 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.603 1.961 . . . . 0.0 107.422 169.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 65.9 m -89.31 142.13 27.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -140.02 159.04 43.07 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.519 1.528 . . . . 0.0 108.637 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -57.69 153.01 32.97 Favored Pre-proline 0 CA--C 1.538 0.495 0 C-N-CA 123.362 0.665 . . . . 0.0 110.955 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -54.09 82.21 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 125.119 3.88 . . . . 0.0 112.374 169.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -87.91 67.53 9.05 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.592 1.157 . . . . 0.0 109.492 -171.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.233 -1.365 . . . . 0.0 109.469 179.111 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 119.786 -0.149 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.84 -63.51 1.29 Allowed 'General case' 0 C--N 1.34 0.168 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -162.01 138.29 7.87 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.816 1.246 . . . . 0.0 108.033 171.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 56.38 46.07 21.6 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.799 0.84 . . . . 0.0 110.28 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -136.63 149.4 67.09 Favored Pre-proline 0 C--N 1.34 0.167 0 C-N-CA 125.423 1.489 . . . . 0.0 107.809 -176.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.99 148.13 50.49 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 122.463 2.109 . . . . 0.0 109.623 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.7 m -76.54 152.56 35.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.297 0.639 . . . . 0.0 110.717 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.08 -174.5 48.99 Favored Glycine 0 CA--C 1.533 1.193 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 174.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.26 141.54 97.97 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.679 2.919 . . . . 0.0 112.709 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.3 m -90.21 -60.87 1.81 Allowed 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.192 0.997 . . . . 0.0 109.664 174.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.5 p -70.81 -67.25 0.52 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.652 0.781 . . . . 0.0 110.527 -174.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.96 -58.85 0.22 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.69 0.796 . . . . 0.0 111.231 177.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -151.69 -64.81 0.18 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.621 1.168 . . . . 0.0 108.526 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -85.04 67.05 10.06 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.732 1.213 . . . . 0.0 110.531 -173.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.14 58.73 3.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.459 0.647 . . . . 0.0 110.422 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -72.29 -54.83 8.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.935 0.894 . . . . 0.0 110.95 -174.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -91.64 50.45 1.71 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.261 1.024 . . . . 0.0 109.75 -175.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -133.49 138.77 46.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.509 1.524 . . . . 0.0 107.735 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.5 m -99.98 115.0 40.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 169.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -105.8 132.4 51.96 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.25 1.42 . . . . 0.0 111.279 -169.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.54 132.54 68.79 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 123.864 0.866 . . . . 0.0 108.913 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -71.23 -42.17 2.14 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.034 2.489 . . . . 0.0 113.046 -173.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -89.54 -30.15 18.41 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -170.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.1 p -99.33 -23.51 15.14 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.518 0.727 . . . . 0.0 111.593 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.8 m 63.77 23.62 13.52 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.72 1.208 . . . . 0.0 112.3 -174.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -87.37 132.76 33.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 171.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.1 m -110.48 154.68 23.3 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.258 0.623 . . . . 0.0 111.105 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -140.51 142.27 35.26 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.924 -1.509 . . . . 0.0 106.924 168.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.9 m -85.08 135.8 33.83 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.406 0.282 . . . . 0.0 111.513 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -61.56 -45.25 94.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 169.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -80.86 105.71 12.31 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.147 0.979 . . . . 0.0 108.479 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -99.42 174.12 6.43 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.287 1.035 . . . . 0.0 110.406 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -67.08 -32.99 74.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.024 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.0 p -65.36 -44.21 88.37 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.311 0.645 . . . . 0.0 110.819 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -56.01 -44.4 78.62 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.158 0.583 . . . . 0.0 110.354 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.7 m -68.02 -37.28 81.21 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.904 0.482 . . . . 0.0 111.82 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -37.63 80.47 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.477 0.711 . . . . 0.0 111.04 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.86 -25.9 61.36 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.939 0.896 . . . . 0.0 112.409 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -99.41 2.23 44.97 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.437 1.095 . . . . 0.0 110.947 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 61.17 52.01 4.13 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.8 1.64 . . . . 0.0 109.836 -173.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -138.4 173.69 11.34 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.932 2.093 . . . . 0.0 107.94 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -131.0 150.21 52.25 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.618 1.167 . . . . 0.0 109.841 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -80.76 136.37 36.13 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.697 0.799 . . . . 0.0 111.144 -173.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -90.42 112.04 23.51 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 169.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -66.65 -9.31 34.5 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -80.39 -56.11 4.42 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.951 0.796 . . . . 0.0 110.297 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.4 p -99.87 -22.04 15.47 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.862 1.265 . . . . 0.0 112.369 -175.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.3 m 61.06 56.91 2.65 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.925 1.69 . . . . 0.0 110.96 -168.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -115.43 154.36 29.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.586 1.554 . . . . 0.0 108.492 168.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.7 m -89.5 131.45 35.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.86 -171.95 3.2 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.847 1.659 . . . . 0.0 109.116 -173.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -41.06 132.22 1.92 Allowed Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 125.728 1.611 . . . . 0.0 111.492 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -71.73 74.1 2.29 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.864 3.043 . . . . 0.0 109.91 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.464 HH11 ' HE ' ' A' ' 55' ' ' ARG . 5.0 tmt_? 178.96 -41.77 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 126.501 1.92 . . . . 0.0 107.783 -174.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.464 ' HE ' HH11 ' A' ' 54' ' ' ARG . 99.0 mtt180 . . . . . 0 C--O 1.25 1.105 0 C-N-CA 125.579 1.551 . . . . 0.0 108.577 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -62.5 -54.73 35.65 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.501 0.72 . . . . 0.0 109.503 174.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -144.56 158.85 43.58 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.347 1.459 . . . . 0.0 108.339 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -70.4 -36.81 74.28 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 122.808 0.443 . . . . 0.0 110.046 169.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -117.53 85.01 19.97 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 126.526 1.93 . . . . 0.0 108.44 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -82.44 58.8 6.67 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.664 2.909 . . . . 0.0 109.359 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.1 m -149.32 169.22 21.31 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.791 1.236 . . . . 0.0 109.633 -173.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.16 -175.4 37.7 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 173.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.87 151.02 24.13 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 123.697 2.932 . . . . 0.0 110.208 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.1 m -75.04 -37.7 61.64 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 170.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 m -73.75 -178.23 3.09 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.568 1.547 . . . . 0.0 112.408 -173.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -58.45 -43.02 88.67 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.366 1.067 . . . . 0.0 111.483 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -141.53 -134.17 0.1 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -62.71 111.31 2.04 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.175 0.59 . . . . 0.0 109.692 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 62.0 0.59 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.052 1.741 . . . . 0.0 112.458 -176.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -60.61 -51.49 69.18 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.381 1.072 . . . . 0.0 111.416 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -86.19 33.6 0.62 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.114 0.966 . . . . 0.0 111.465 -174.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -143.88 144.89 31.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 125.149 1.38 . . . . 0.0 109.161 -175.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 m -105.59 113.7 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.901 1.28 . . . . 0.0 107.59 169.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -99.81 124.74 45.4 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.606 1.162 . . . . 0.0 109.561 -178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.19 127.83 93.6 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.84 -30.66 33.2 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 122.602 2.201 . . . . 0.0 113.042 -172.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -89.1 -41.89 12.03 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.37 0.532 . . . . 0.0 111.41 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -98.93 -19.01 17.56 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.353 0.661 . . . . 0.0 111.473 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.5 m 63.27 26.31 15.07 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.778 1.231 . . . . 0.0 112.218 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -90.54 138.1 31.83 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.24 1.416 . . . . 0.0 107.901 171.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.6 m -108.78 151.52 26.11 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.454 0.701 . . . . 0.0 111.291 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 m -136.53 139.69 42.42 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 169.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.7 m -75.25 139.96 42.9 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.468 0.307 . . . . 0.0 111.496 -174.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.08 -48.57 65.17 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 171.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -75.43 145.17 41.74 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.568 1.947 . . . . 0.0 109.326 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -129.33 162.19 28.55 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.764 0.826 . . . . 0.0 111.505 -173.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.69 -40.91 93.96 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.536 1.134 . . . . 0.0 110.837 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 p -62.33 -47.39 84.45 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.757 0.823 . . . . 0.0 110.712 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 -49.07 -50.24 37.71 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.855 1.262 . . . . 0.0 110.99 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.2 m -70.42 -46.62 63.57 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.518 0.327 . . . . 0.0 111.504 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -56.57 -37.3 70.39 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.583 1.153 . . . . 0.0 111.756 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.31 -37.23 62.06 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.689 0.796 . . . . 0.0 112.107 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -99.82 15.25 27.56 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.118 0.967 . . . . 0.0 111.71 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 58.47 50.86 8.73 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.312 1.445 . . . . 0.0 110.437 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.6 mt -131.3 173.55 10.95 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.802 2.041 . . . . 0.0 107.621 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -131.48 145.84 51.96 Favored 'General case' 0 C--N 1.338 0.099 0 C-N-CA 124.068 0.947 . . . . 0.0 109.846 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.7 tp -74.94 125.52 29.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.947 0.899 . . . . 0.0 109.59 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -89.18 103.06 15.71 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 174.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -49.9 -27.3 5.04 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.746 1.618 . . . . 0.0 114.549 -172.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -78.06 -44.29 26.77 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.152 0.581 . . . . 0.0 110.753 -170.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.5 p -105.78 -14.14 15.33 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.051 1.34 . . . . 0.0 112.002 -177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . 0.251 9.8 m 47.04 53.6 10.38 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 126.296 1.838 . . . . 0.0 111.964 -169.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -107.59 158.44 17.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.993 1.717 . . . . 0.0 107.191 168.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 73.2 m -89.43 122.13 32.33 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -125.01 -176.96 3.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.151 1.78 . . . . 0.0 108.612 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -49.16 147.53 5.01 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 124.174 0.989 . . . . 0.0 112.017 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.96 77.8 1.47 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.555 2.837 . . . . 0.0 109.724 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 179.62 -46.49 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.536 1.534 . . . . 0.0 108.675 -174.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.14 -1.409 . . . . 0.0 109.549 177.765 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.742 ' O ' ' CB ' ' A' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 111.337 0.125 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.742 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 57.7 ttt85 137.76 -62.26 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 56.52 73.41 0.45 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.068 1.347 . . . . 0.0 110.851 175.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -67.35 159.15 29.95 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.256 0.622 . . . . 0.0 111.004 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -134.76 87.54 30.48 Favored Pre-proline 0 CA--C 1.532 0.274 0 C-N-CA 124.58 1.152 . . . . 0.0 108.031 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.91 114.35 1.68 Allowed 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 124.216 3.277 . . . . 0.0 112.022 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.0 m -144.99 154.92 43.06 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.684 1.194 . . . . 0.0 109.464 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.13 173.68 48.7 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -75.89 141.93 24.7 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.881 3.054 . . . . 0.0 109.956 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.0 m -68.89 -54.52 15.11 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.08 0.552 . . . . 0.0 110.013 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.8 p -88.83 -148.9 0.17 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.535 0.734 . . . . 0.0 109.023 171.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -71.07 -78.74 0.07 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.457 0.571 . . . . 0.0 111.528 -172.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -150.89 -47.29 0.12 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.071 0.548 . . . . 0.0 111.885 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -80.53 59.51 3.56 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.707 0.803 . . . . 0.0 109.579 176.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -87.16 37.26 0.76 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.081 0.952 . . . . 0.0 111.957 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -65.18 -32.47 74.17 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.721 0.809 . . . . 0.0 111.814 -173.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.42 -22.11 62.76 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.41 1.084 . . . . 0.0 111.387 176.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -89.92 143.27 26.94 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.482 0.713 . . . . 0.0 109.672 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.45 125.73 73.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 169.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -99.88 132.29 45.33 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.696 1.198 . . . . 0.0 110.417 -170.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.86 122.99 84.86 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-O 118.54 -0.743 . . . . 0.0 109.768 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.03 -37.66 57.62 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.896 3.064 . . . . 0.0 115.04 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -89.78 -48.78 7.03 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.701 0.8 . . . . 0.0 111.559 -169.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.6 p -99.09 -18.12 17.88 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.676 0.791 . . . . 0.0 112.04 -170.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.2 m 61.67 23.95 14.16 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.955 1.302 . . . . 0.0 112.79 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -90.06 135.51 33.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 169.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.11 157.76 16.78 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.23 0.538 . . . . 0.0 112.412 -175.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -137.88 144.31 41.29 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.663 1.585 . . . . 0.0 106.736 169.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.4 m -85.18 135.05 34.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 122.35 0.26 . . . . 0.0 111.426 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -63.66 -38.62 91.82 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.179 173.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -85.35 107.6 17.43 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.761 1.224 . . . . 0.0 108.254 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -99.93 166.41 11.07 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.78 0.832 . . . . 0.0 111.383 -174.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.02 -44.21 82.65 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.176 0.991 . . . . 0.0 110.01 171.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.8 m -58.56 -45.38 89.12 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.563 0.745 . . . . 0.0 110.839 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -62.74 -42.72 99.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.36 0.664 . . . . 0.0 110.972 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.9 m -62.81 -47.98 81.08 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.812 175.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -62.96 -33.17 74.8 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.154 0.982 . . . . 0.0 112.39 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.74 -26.13 66.98 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.937 0.495 . . . . 0.0 111.506 172.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -103.54 14.05 32.09 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.468 1.507 . . . . 0.0 111.383 174.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 59.83 49.67 7.72 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.41 1.884 . . . . 0.0 111.7 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.8 mt -140.1 176.72 8.52 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.925 1.69 . . . . 0.0 108.702 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -127.24 149.3 50.06 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 124.887 1.275 . . . . 0.0 109.018 176.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -85.97 137.02 33.03 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.569 0.748 . . . . 0.0 111.012 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -89.54 109.98 20.87 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 168.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -88.2 49.14 1.74 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.355 0.525 . . . . 0.0 110.529 -174.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -125.55 -51.81 1.6 Allowed 'General case' 0 C--N 1.339 0.121 0 C-N-CA 125.348 1.459 . . . . 0.0 107.672 171.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 t -110.04 -10.44 14.7 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.396 1.079 . . . . 0.0 112.231 176.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 56.3 m 59.21 55.71 4.2 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 125.051 1.34 . . . . 0.0 112.38 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -118.79 155.19 31.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.472 1.509 . . . . 0.0 107.522 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.9 m -88.99 145.52 25.45 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -140.24 163.69 32.07 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.773 1.629 . . . . 0.0 109.684 -175.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 143.8 91.48 Favored Pre-proline 0 CA--C 1.536 0.43 0 C-N-CA 123.382 0.673 . . . . 0.0 109.704 -178.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -78.68 66.4 8.6 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.774 2.983 . . . . 0.0 111.089 -174.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.5 84.81 7.39 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 175.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 116.908 -1.52 . . . . 0.0 110.38 179.074 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.683 0 CA-C-O 119.101 -0.475 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.24 -172.97 4.1 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.008 0.923 . . . . 0.0 110.08 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -60.32 -56.85 16.46 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.846 1.258 . . . . 0.0 110.328 176.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -80.12 62.36 4.27 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.518 1.127 . . . . 0.0 110.852 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -150.24 132.78 8.16 Favored Pre-proline 0 CA--C 1.533 0.316 0 C-N-CA 124.336 1.055 . . . . 0.0 109.121 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.04 100.5 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.937 2.425 . . . . 0.0 108.712 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.7 m -68.17 135.17 51.67 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 122.843 0.457 . . . . 0.0 111.136 -172.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.82 -175.37 39.74 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.637 1.113 . . . . 0.0 110.593 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.81 155.46 39.23 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.908 3.072 . . . . 0.0 110.477 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.2 m -67.31 -54.6 19.28 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.461 0.704 . . . . 0.0 110.389 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 t -88.2 -153.48 0.24 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.198 0.999 . . . . 0.0 108.802 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -60.93 -59.18 5.78 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.843 0.857 . . . . 0.0 109.938 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -150.87 -61.63 0.19 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.996 0.918 . . . . 0.0 109.155 173.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -84.53 67.16 9.84 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.316 1.047 . . . . 0.0 110.41 -174.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -61.97 2.15 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.979 0.912 . . . . 0.0 111.233 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m170 70.09 -66.28 0.28 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.51 1.924 . . . . 0.0 112.425 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.4 mt -85.09 42.76 0.96 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.809 1.244 . . . . 0.0 111.312 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -141.35 155.76 45.9 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.727 1.211 . . . . 0.0 109.924 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 m -116.16 143.69 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 125.529 1.532 . . . . 0.0 107.034 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -125.39 143.24 51.07 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.674 1.19 . . . . 0.0 109.421 -176.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -103.15 112.71 65.93 Favored Pre-proline 0 N--CA 1.452 -0.341 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.12 -11.18 29.89 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.242 1.961 . . . . 0.0 112.662 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -89.46 -14.08 36.13 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.988 0.915 . . . . 0.0 112.32 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.3 p -132.12 -22.53 2.27 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.263 1.025 . . . . 0.0 111.917 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.5 m 75.1 8.21 4.07 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 127.031 2.132 . . . . 0.0 112.438 -172.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -84.28 156.44 21.95 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.0 m -132.92 165.01 25.66 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.998 0.919 . . . . 0.0 111.218 -175.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.6 t -140.25 153.97 46.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.514 1.525 . . . . 0.0 106.916 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.3 m -74.85 142.22 44.17 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -63.9 -48.57 76.1 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 173.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -77.25 110.76 12.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.175 0.99 . . . . 0.0 108.666 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.3 p -99.92 160.96 13.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.072 0.949 . . . . 0.0 110.091 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.68 -26.61 68.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.172 0.589 . . . . 0.0 111.596 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.6 t -59.23 -47.46 85.24 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.584 0.753 . . . . 0.0 110.981 174.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -58.87 -49.23 78.53 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.1 m -56.38 -46.82 79.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 119.465 -0.303 . . . . 0.0 110.668 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.63 -41.4 97.45 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.098 0.959 . . . . 0.0 111.489 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.68 -25.27 66.25 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.97 0.508 . . . . 0.0 111.902 173.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -99.18 7.16 46.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.19 1.396 . . . . 0.0 111.175 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 60.81 49.8 5.85 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.905 1.682 . . . . 0.0 110.732 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.3 mt -140.39 176.81 8.47 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.718 2.407 . . . . 0.0 108.131 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -129.25 154.99 46.27 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.673 1.189 . . . . 0.0 108.893 170.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.0 tp -82.88 137.48 34.24 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.864 0.866 . . . . 0.0 110.9 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -89.62 111.3 22.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -57.29 -25.12 58.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.748 1.219 . . . . 0.0 113.444 -173.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -79.13 -57.97 3.47 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.1 0.56 . . . . 0.0 110.594 -170.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.6 t -93.47 -20.49 20.24 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.966 0.906 . . . . 0.0 111.574 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.3 m 59.78 57.32 3.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.202 1.401 . . . . 0.0 110.97 -173.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -120.52 151.45 39.36 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.655 1.982 . . . . 0.0 106.327 169.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.9 m -88.83 119.3 29.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.22 -177.64 3.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.306 1.842 . . . . 0.0 109.516 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 148.02 2.25 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 124.3 1.04 . . . . 0.0 112.481 -178.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.84 102.94 1.1 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.01 2.473 . . . . 0.0 109.814 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.81 -80.94 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.097 1.359 . . . . 0.0 109.197 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.224 0 CA-C-O 117.248 -1.358 . . . . 0.0 109.178 174.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -130.9 -64.01 0.84 Allowed 'General case' 0 C--N 1.338 0.077 0 C-N-CA 124.896 1.279 . . . . 0.0 108.164 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -62.09 143.93 55.98 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.259 0.624 . . . . 0.0 110.645 174.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.77 104.85 4.82 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.504 0.721 . . . . 0.0 109.384 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -121.81 94.78 48.17 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 124.902 1.281 . . . . 0.0 108.51 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.6 -17.93 14.17 Favored 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 124.049 3.166 . . . . 0.0 115.989 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 70.0 m -122.47 148.94 44.54 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.574 1.55 . . . . 0.0 109.977 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.23 163.27 37.45 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 171.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -49.78 138.79 33.14 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 124.253 3.302 . . . . 0.0 113.345 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.1 m -64.03 -79.95 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.613 0.765 . . . . 0.0 109.633 173.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -90.57 171.47 9.38 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.512 0.725 . . . . 0.0 110.144 173.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.18 -75.57 0.1 Allowed 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -169.507 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 70.7 ttt180 -151.95 -72.96 0.15 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.717 1.207 . . . . 0.0 108.732 -170.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -58.47 -30.03 66.65 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.583 1.953 . . . . 0.0 111.129 -174.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -72.44 68.08 0.77 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.011 1.725 . . . . 0.0 109.039 169.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -76.81 -19.89 57.03 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.365 1.466 . . . . 0.0 111.913 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -82.89 46.99 1.15 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.718 1.207 . . . . 0.0 110.885 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -136.34 146.46 46.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.009 1.723 . . . . 0.0 108.719 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.5 m -126.57 153.68 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.974 1.709 . . . . 0.0 107.718 171.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -140.22 140.38 35.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.649 0.78 . . . . 0.0 110.782 -169.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.71 119.42 75.34 Favored Pre-proline 0 CA--C 1.535 0.373 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 169.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.41 -20.04 28.01 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.008 2.472 . . . . 0.0 113.126 -172.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -91.37 -52.23 4.9 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.872 0.869 . . . . 0.0 110.887 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.5 p -99.21 -7.29 26.71 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.898 0.879 . . . . 0.0 112.537 -170.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m 69.41 18.59 7.86 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.145 1.378 . . . . 0.0 112.536 173.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.2 121.61 18.69 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.4 m -99.9 132.85 45.0 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.5 1.12 . . . . 0.0 109.502 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.4 m -141.23 143.47 34.17 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.406 0.682 . . . . 0.0 110.015 172.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -83.79 136.73 34.04 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.967 0.507 . . . . 0.0 110.255 169.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.84 -47.8 79.33 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.558 0.743 . . . . 0.0 109.228 173.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -74.6 107.02 6.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.5 p -99.9 167.17 10.69 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.117 0.967 . . . . 0.0 110.437 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.85 -33.62 76.43 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 122.922 0.489 . . . . 0.0 111.096 175.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 p -61.89 -41.55 98.03 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.456 0.702 . . . . 0.0 110.791 170.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.99 37.45 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 174.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.16 -40.99 91.86 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.681 0.792 . . . . 0.0 112.019 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -63.07 -24.63 67.99 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.959 0.904 . . . . 0.0 111.807 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.01 -29.48 67.28 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.515 0.598 . . . . 0.0 111.707 171.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -99.81 8.86 43.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.009 1.323 . . . . 0.0 111.323 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 55.78 45.53 24.16 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.33 1.452 . . . . 0.0 111.129 -171.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.5 mt -121.95 171.11 9.17 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.826 1.651 . . . . 0.0 108.564 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -128.31 145.69 50.99 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.377 1.071 . . . . 0.0 109.458 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 tp -79.71 136.4 36.77 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.984 0.914 . . . . 0.0 110.935 -174.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -89.46 109.97 20.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -50.17 -34.78 23.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.089 1.356 . . . . 0.0 113.743 -173.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -78.82 -51.38 9.81 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.142 0.428 . . . . 0.0 111.2 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 p -89.11 -23.07 22.58 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.225 0.61 . . . . 0.0 111.079 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.9 m 55.29 55.09 7.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.905 1.682 . . . . 0.0 110.733 -170.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -116.03 153.64 31.31 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.497 1.919 . . . . 0.0 107.478 170.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.8 m -89.51 134.92 33.88 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -140.05 169.38 17.8 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.801 1.24 . . . . 0.0 110.02 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -54.81 132.54 66.1 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 124.571 1.148 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -50.9 -49.62 16.39 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 124.059 3.172 . . . . 0.0 112.313 172.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.29 -30.21 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.788 1.235 . . . . 0.0 111.976 -179.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 . . . . . 0 C--O 1.25 1.087 0 C-N-CA 125.876 1.67 . . . . 0.0 107.712 178.792 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -157.79 155.36 29.65 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.39 0.676 . . . . 0.0 109.539 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -80.1 73.92 6.9 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.986 0.915 . . . . 0.0 109.768 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -82.81 55.9 3.21 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.921 0.888 . . . . 0.0 110.305 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -150.76 140.68 14.04 Favored Pre-proline 0 CA--C 1.532 0.266 0 C-N-CA 125.249 1.42 . . . . 0.0 107.685 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -75.9 -117.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.183 2.589 . . . . 0.0 108.483 172.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.0 m -75.66 143.15 42.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 121.655 -0.653 . . . . 0.0 109.961 174.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.09 143.12 19.45 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 171.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.62 137.28 27.31 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 122.915 2.41 . . . . 0.0 110.146 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.9 m -68.34 -48.81 63.87 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.798 0.439 . . . . 0.0 110.062 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.2 p -82.38 175.81 9.94 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.286 1.035 . . . . 0.0 111.465 -177.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -90.03 -95.04 0.11 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.228 1.011 . . . . 0.0 111.229 -169.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 -150.16 -56.88 0.18 Allowed 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.527 1.131 . . . . 0.0 109.044 -174.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 66.5 mtp85 -55.27 -41.28 72.04 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 169.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -81.37 56.35 2.88 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.065 1.346 . . . . 0.0 109.45 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -84.61 9.72 12.99 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.461 0.704 . . . . 0.0 110.645 169.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -85.07 44.72 1.1 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.958 1.703 . . . . 0.0 108.917 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -147.38 156.47 42.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.969 1.708 . . . . 0.0 108.565 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.7 m -134.98 157.63 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.518 1.527 . . . . 0.0 108.078 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -140.1 139.02 35.75 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.878 0.871 . . . . 0.0 110.08 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -71.67 120.5 80.34 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 123.836 0.854 . . . . 0.0 109.743 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.21 -32.81 51.96 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.141 3.227 . . . . 0.0 115.584 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -89.55 -50.0 6.34 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.117 0.567 . . . . 0.0 111.307 -170.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.5 p -99.15 -13.81 19.62 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.002 0.921 . . . . 0.0 112.336 -170.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m 65.26 26.76 12.2 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.65 1.18 . . . . 0.0 111.582 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -79.01 120.11 23.12 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.3 m -98.68 141.88 30.94 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.578 0.751 . . . . 0.0 110.443 -177.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.3 m -140.31 146.51 38.61 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.87 1.268 . . . . 0.0 108.32 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.5 m -69.2 141.91 54.39 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.751 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.35 -44.27 59.1 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.309 1.043 . . . . 0.0 109.573 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -82.39 128.53 34.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.751 1.62 . . . . 0.0 109.35 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.4 p -113.0 158.46 20.25 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.745 1.218 . . . . 0.0 110.489 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.72 -28.82 69.69 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 123.771 0.828 . . . . 0.0 112.225 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 p -57.82 -47.22 83.26 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.659 0.783 . . . . 0.0 111.439 174.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -59.68 -48.85 80.02 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 122.856 0.462 . . . . 0.0 110.079 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.0 m -59.01 -47.5 85.0 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.983 0.513 . . . . 0.0 110.903 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -60.26 -33.71 72.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.239 1.416 . . . . 0.0 111.715 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.07 -28.76 69.31 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 174.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -99.73 12.74 35.85 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.301 1.04 . . . . 0.0 110.955 174.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 59.29 46.38 12.83 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.356 1.462 . . . . 0.0 110.929 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.5 mt -129.03 176.38 7.93 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.631 1.972 . . . . 0.0 107.868 174.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -132.66 151.81 51.86 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.419 1.087 . . . . 0.0 109.397 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.4 tp -72.86 134.1 44.7 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.9 0.88 . . . . 0.0 110.32 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -89.77 117.52 28.68 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 169.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -68.03 -16.5 64.06 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -171.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -79.52 -58.44 3.2 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.721 0.691 . . . . 0.0 110.422 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 t -102.95 -10.5 18.94 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.835 0.854 . . . . 0.0 112.44 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.8 m 57.74 55.72 5.3 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.636 1.175 . . . . 0.0 111.813 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -122.26 159.28 27.68 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.337 1.855 . . . . 0.0 106.961 170.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.5 m -89.26 133.97 34.24 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -177.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -140.0 155.85 46.9 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 125.043 1.337 . . . . 0.0 109.297 -175.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -65.9 141.16 97.49 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 122.498 0.319 . . . . 0.0 110.189 -177.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -68.6 -35.73 16.36 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 123.438 2.759 . . . . 0.0 111.192 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -150.8 152.45 33.81 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.751 1.621 . . . . 0.0 107.627 176.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.79 2.036 . . . . 0.0 108.704 174.317 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -67.12 97.16 0.5 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.199 1.0 . . . . 0.0 108.834 177.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 57.71 73.4 0.47 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.963 1.305 . . . . 0.0 109.376 -169.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -56.91 113.86 1.85 Allowed 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.697 0.799 . . . . 0.0 109.514 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -139.74 92.85 9.85 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.724 1.21 . . . . 0.0 108.913 -174.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -59.11 -15.86 30.35 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.794 2.996 . . . . 0.0 115.96 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.6 m -95.56 176.79 6.04 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.654 1.182 . . . . 0.0 110.516 -176.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.15 175.97 23.67 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 172.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -68.38 152.99 75.06 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.281 2.654 . . . . 0.0 109.956 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.3 m -65.06 -56.84 10.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.517 0.727 . . . . 0.0 110.027 -174.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.0 m -89.36 64.88 6.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.02 0.528 . . . . 0.0 109.872 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -76.42 76.78 3.16 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.225 0.61 . . . . 0.0 109.456 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -144.51 -147.26 0.21 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.102 1.761 . . . . 0.0 106.511 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -55.9 -24.88 40.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.964 0.906 . . . . 0.0 110.296 168.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -74.78 52.29 0.52 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.79 2.436 . . . . 0.0 111.468 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -66.88 -10.81 52.49 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.45 1.1 . . . . 0.0 111.11 169.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -55.33 -24.17 27.57 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.06 1.744 . . . . 0.0 110.996 170.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -88.72 133.75 34.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 175.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -126.13 168.08 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.727 1.611 . . . . 0.0 108.916 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -128.13 137.16 51.99 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.507 1.123 . . . . 0.0 110.36 -169.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.39 121.03 84.12 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 169.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.03 -23.12 46.86 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.38 2.72 . . . . 0.0 113.35 -170.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -89.5 -47.01 8.27 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.541 0.736 . . . . 0.0 111.094 -175.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.3 p -99.21 -17.58 18.06 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.642 0.777 . . . . 0.0 112.301 -170.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.0 m 63.58 29.75 15.14 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.661 1.184 . . . . 0.0 111.847 -174.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -82.47 133.72 35.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 173.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.3 m -99.03 132.63 44.19 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.493 0.717 . . . . 0.0 109.544 -176.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.8 p -141.38 142.13 33.76 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.14 0.976 . . . . 0.0 110.287 176.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 97.2 m -73.73 133.56 43.34 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.892 0.477 . . . . 0.0 111.196 170.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -66.02 -43.5 87.47 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.076 0.951 . . . . 0.0 109.573 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -76.22 136.01 39.7 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.692 1.197 . . . . 0.0 109.365 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.3 p -122.9 159.28 28.55 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.656 1.182 . . . . 0.0 110.461 -175.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -63.44 -30.81 71.88 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.942 172.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.6 m -59.83 -50.15 74.92 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.669 0.788 . . . . 0.0 110.68 173.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -57.74 -47.68 81.78 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.885 0.874 . . . . 0.0 110.518 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.1 m -62.16 -45.94 91.19 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.791 0.437 . . . . 0.0 111.353 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.73 -39.04 92.84 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 124.747 1.219 . . . . 0.0 111.58 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.51 -34.01 64.25 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.783 0.433 . . . . 0.0 111.211 172.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -99.23 17.73 19.28 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.143 1.377 . . . . 0.0 111.018 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 61.04 43.98 10.77 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.069 1.748 . . . . 0.0 112.566 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.0 mt -139.42 179.36 6.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.345 1.858 . . . . 0.0 108.226 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -134.31 149.79 50.92 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.787 0.835 . . . . 0.0 109.583 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.8 tp -76.11 126.06 30.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.504 0.721 . . . . 0.0 110.187 -177.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -89.32 98.54 11.82 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 168.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.48 -14.46 19.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.294 1.037 . . . . 0.0 113.418 -169.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -78.28 -46.02 21.3 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.315 -0.865 . . . . 0.0 109.449 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.3 p -90.01 -23.48 21.48 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.676 1.191 . . . . 0.0 111.507 177.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.6 m 52.43 47.61 24.36 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.975 2.11 . . . . 0.0 111.162 -168.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -121.0 157.77 29.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.026 1.73 . . . . 0.0 107.611 171.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.12 126.26 35.38 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -129.92 173.99 10.17 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.355 1.462 . . . . 0.0 109.379 -177.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 143.28 24.87 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 123.906 0.882 . . . . 0.0 111.668 -176.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.04 -59.87 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.629 2.219 . . . . 0.0 111.132 -173.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -109.48 -70.3 0.82 Allowed 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 173.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.704 1.602 . . . . 0.0 108.486 176.255 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.822 ' O ' ' HB3' ' A' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.822 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 24.4 ttt85 110.98 139.43 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -175.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 52.89 47.27 25.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.308 1.443 . . . . 0.0 111.686 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -89.37 63.3 6.38 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.466 1.106 . . . . 0.0 108.283 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -150.53 163.81 22.74 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 125.052 1.341 . . . . 0.0 108.357 -177.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -52.77 -27.95 36.24 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.465 2.777 . . . . 0.0 116.606 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m -109.32 -167.96 1.27 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.227 1.411 . . . . 0.0 110.839 -171.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -123.12 177.13 16.62 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.534 1.54 . . . . 0.0 111.066 -176.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.7 144.18 58.88 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 124.199 3.266 . . . . 0.0 111.435 -171.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.9 m -61.39 -58.46 8.14 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.605 0.762 . . . . 0.0 110.214 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.1 m -74.2 158.38 34.23 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.814 0.446 . . . . 0.0 110.21 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.91 -42.51 3.08 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.677 1.191 . . . . 0.0 111.766 -174.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -65.71 0.96 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.284 1.034 . . . . 0.0 108.864 176.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -86.04 57.58 4.56 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.478 0.711 . . . . 0.0 110.126 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -90.8 -143.18 0.17 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.659 1.584 . . . . 0.0 109.331 172.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.1 m80 79.56 -51.67 0.41 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 126.189 1.796 . . . . 0.0 111.946 172.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.32 -11.12 38.65 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.307 1.443 . . . . 0.0 112.962 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.33 141.52 28.47 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.827 0.74 . . . . 0.0 112.144 -172.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.7 123.75 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 168.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -114.02 142.89 45.6 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.625 0.77 . . . . 0.0 111.698 -167.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.46 129.42 92.54 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 123.926 0.89 . . . . 0.0 110.207 -174.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -68.7 -11.27 31.44 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.953 3.102 . . . . 0.0 114.358 -172.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -117.5 -51.55 2.5 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 124.143 0.977 . . . . 0.0 111.268 -177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.8 p -99.21 -1.89 38.08 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -169.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.4 m 63.99 13.84 7.99 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.871 1.268 . . . . 0.0 113.954 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -72.89 135.87 45.18 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.652 0.66 . . . . 0.0 109.497 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.8 m -98.67 134.02 42.18 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.082 0.953 . . . . 0.0 109.436 -169.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 p -140.77 136.92 32.99 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.757 1.223 . . . . 0.0 109.096 175.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.7 m -88.26 144.74 26.25 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 122.871 0.468 . . . . 0.0 111.798 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -58.86 -46.2 88.32 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.576 1.15 . . . . 0.0 109.81 173.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -75.77 107.51 7.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.1 p -101.05 164.12 11.96 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.998 0.919 . . . . 0.0 111.564 -174.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.78 -34.85 65.64 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.435 1.094 . . . . 0.0 110.895 169.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.3 m -62.03 -47.49 84.51 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.95 0.9 . . . . 0.0 111.29 177.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -63.38 -45.08 92.75 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 122.916 0.486 . . . . 0.0 110.64 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.5 m -58.46 -45.74 88.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.3 0.24 . . . . 0.0 110.58 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.98 -41.65 92.47 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.584 1.154 . . . . 0.0 111.534 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.22 64.46 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.207 0.603 . . . . 0.0 111.792 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -99.1 13.78 31.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.981 1.313 . . . . 0.0 111.308 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 55.69 50.88 13.43 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 125.988 1.715 . . . . 0.0 112.31 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -140.28 176.4 8.8 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 127.291 2.236 . . . . 0.0 107.075 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -137.56 152.34 49.33 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 170.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 tp -81.32 139.4 35.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.197 0.999 . . . . 0.0 111.26 -170.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -89.37 115.62 26.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 167.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -64.18 -20.63 66.14 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -169.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.71 -58.71 3.05 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.538 0.735 . . . . 0.0 110.955 -172.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 t -98.2 -10.77 23.55 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.483 0.713 . . . . 0.0 111.842 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.5 m 59.01 51.54 7.1 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.036 1.334 . . . . 0.0 112.032 177.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -111.91 149.85 31.3 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 75.7 m -89.0 127.1 35.66 Favored 'General case' 0 C--N 1.338 0.08 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -137.05 -170.09 2.63 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.994 1.317 . . . . 0.0 109.972 -174.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -42.81 132.53 3.01 Favored Pre-proline 0 CA--C 1.539 0.527 0 C-N-CA 125.141 1.376 . . . . 0.0 112.307 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -46.56 117.85 2.27 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 124.176 3.25 . . . . 0.0 112.886 173.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -83.99 61.16 6.27 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 174.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 . . . . . 0 C--O 1.25 1.082 0 C-N-CA 125.028 1.331 . . . . 0.0 108.988 -170.571 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 60.15 -96.4 0.06 Allowed 'General case' 0 C--N 1.34 0.162 0 C-N-CA 125.556 1.542 . . . . 0.0 110.872 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -78.88 72.37 5.39 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.106 0.962 . . . . 0.0 109.111 178.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 61.94 -96.87 0.06 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.123 1.369 . . . . 0.0 110.224 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -149.36 112.61 3.49 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 125.61 1.564 . . . . 0.0 107.789 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.36 117.83 4.21 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.558 2.839 . . . . 0.0 110.916 170.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m -136.67 176.88 8.3 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.867 1.267 . . . . 0.0 109.309 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.95 169.8 34.18 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.72 126.77 23.52 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 124.546 3.497 . . . . 0.0 112.022 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 m -69.75 -49.38 53.63 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.268 0.627 . . . . 0.0 110.02 -177.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.5 p -90.01 22.19 3.33 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.78 1.232 . . . . 0.0 111.855 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 51.19 -112.52 0.64 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.953 1.701 . . . . 0.0 111.154 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -135.0 63.1 1.63 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.031 1.332 . . . . 0.0 107.716 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -136.82 -68.14 0.49 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.901 1.28 . . . . 0.0 107.866 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -90.11 70.21 7.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.28 1.032 . . . . 0.0 108.585 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -64.56 -15.23 60.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.267 1.427 . . . . 0.0 111.829 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.36 -10.81 26.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.084 1.353 . . . . 0.0 112.048 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -89.22 146.3 24.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.175 0.99 . . . . 0.0 109.294 175.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.57 145.52 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 125.103 1.361 . . . . 0.0 108.451 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -105.09 151.29 24.17 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.847 1.259 . . . . 0.0 111.299 -169.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -109.08 110.4 60.7 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 125.44 1.496 . . . . 0.0 107.422 169.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -77.22 2.15 7.96 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.96 2.44 . . . . 0.0 113.107 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -89.44 -44.94 9.8 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.822 0.849 . . . . 0.0 109.843 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.1 p -105.09 -26.6 12.04 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.898 1.279 . . . . 0.0 111.721 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m 84.56 8.75 0.46 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.013 2.125 . . . . 0.0 111.671 -171.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -68.89 155.74 39.71 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.7 m -127.65 155.28 44.15 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.62 0.768 . . . . 0.0 109.507 169.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -139.14 142.98 38.02 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.818 1.247 . . . . 0.0 108.403 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.0 m -73.47 127.76 33.61 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.153 0.581 . . . . 0.0 111.291 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.79 -44.14 96.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.477 1.111 . . . . 0.0 109.579 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -80.36 111.63 16.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.75 1.22 . . . . 0.0 108.538 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.4 p -103.37 170.84 7.71 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.391 1.076 . . . . 0.0 111.121 -175.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -58.92 -39.43 81.53 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.868 0.867 . . . . 0.0 110.328 169.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -62.72 -43.7 98.12 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.015 0.926 . . . . 0.0 110.829 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -59.58 -50.42 73.97 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.754 0.822 . . . . 0.0 110.517 177.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.6 m -63.11 -45.29 92.71 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.271 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -59.66 -40.9 89.27 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.481 1.112 . . . . 0.0 111.36 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.91 -30.58 69.14 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.249 0.62 . . . . 0.0 111.286 173.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -99.01 18.95 16.04 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.396 1.078 . . . . 0.0 111.093 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 59.16 43.49 17.14 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.368 1.867 . . . . 0.0 113.009 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.7 mt -140.17 -177.64 5.1 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.431 1.892 . . . . 0.0 108.167 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -130.42 149.99 51.84 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.69 0.796 . . . . 0.0 109.698 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 tp -81.27 136.9 35.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.284 1.034 . . . . 0.0 110.674 -175.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -89.8 111.21 22.15 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 168.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -62.3 -16.29 53.08 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -174.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -79.7 -56.97 3.9 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.786 0.721 . . . . 0.0 110.218 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -89.47 -22.92 22.24 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.789 0.835 . . . . 0.0 111.755 -176.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.7 m 58.88 52.51 6.44 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.092 1.757 . . . . 0.0 110.826 -169.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -121.92 154.2 37.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.962 1.705 . . . . 0.0 107.592 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 74.2 m -89.21 137.95 31.86 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -140.23 158.52 43.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 125.013 1.325 . . . . 0.0 109.737 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -73.4 131.39 82.84 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -78.45 74.34 5.44 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.241 2.627 . . . . 0.0 110.687 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.31 37.42 0.29 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.319 1.047 . . . . 0.0 111.457 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.884 -1.532 . . . . 0.0 107.922 173.432 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -78.73 70.22 5.04 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.9 0.88 . . . . 0.0 110.516 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -72.88 94.48 1.83 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.828 0.851 . . . . 0.0 109.496 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.91 177.22 10.35 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.512 1.125 . . . . 0.0 109.713 177.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -143.02 150.55 53.23 Favored Pre-proline 0 CA--C 1.53 0.209 0 C-N-CA 124.588 1.155 . . . . 0.0 108.664 174.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -78.37 67.01 8.38 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.712 2.941 . . . . 0.0 109.691 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 94.7 m -138.28 161.82 35.93 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.987 1.315 . . . . 0.0 109.479 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.46 99.26 0.68 Allowed Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.906 1.241 . . . . 0.0 110.011 -176.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -47.31 131.28 18.22 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 124.505 3.47 . . . . 0.0 112.733 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.1 m -70.52 -52.78 19.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.633 0.773 . . . . 0.0 110.341 -175.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -82.44 -178.28 7.0 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.835 0.854 . . . . 0.0 110.911 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.68 -170.13 0.99 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.771 1.228 . . . . 0.0 110.651 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -88.14 -36.28 16.95 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.568 1.147 . . . . 0.0 108.033 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -50.11 -45.47 52.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.617 1.567 . . . . 0.0 109.794 168.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.43 58.48 1.71 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.749 2.019 . . . . 0.0 110.246 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -70.13 -19.22 63.23 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.581 1.552 . . . . 0.0 112.805 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.7 -9.12 48.53 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.304 1.042 . . . . 0.0 112.267 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -89.3 142.87 27.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.085 0.954 . . . . 0.0 108.994 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.19 163.16 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.525 1.53 . . . . 0.0 108.139 171.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -140.03 139.17 35.92 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.759 0.824 . . . . 0.0 109.705 -175.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.93 121.87 78.08 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.762 -178.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.63 -42.4 29.64 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 124.381 3.387 . . . . 0.0 114.644 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -93.0 -49.64 5.92 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.6 0.76 . . . . 0.0 111.894 -170.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -99.0 -12.08 20.93 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.9 m 69.51 18.72 7.71 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.805 1.242 . . . . 0.0 113.761 172.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -79.45 135.41 36.66 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.5 m -99.38 136.52 39.21 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 124.054 0.941 . . . . 0.0 110.136 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.8 p -141.38 146.47 36.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.117 0.967 . . . . 0.0 109.904 172.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 76.5 m -79.51 137.2 37.11 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.762 0.425 . . . . 0.0 111.0 170.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -65.13 -46.82 79.38 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 171.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -76.17 123.51 25.96 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.06 0.944 . . . . 0.0 108.946 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.9 p -116.97 167.22 11.33 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.416 1.086 . . . . 0.0 111.243 -174.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -56.53 -38.08 71.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.479 1.112 . . . . 0.0 110.965 172.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.7 p -64.64 -46.45 82.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.453 0.701 . . . . 0.0 111.284 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -60.21 -46.34 90.07 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.156 0.582 . . . . 0.0 110.689 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.66 -46.82 83.89 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.153 0.181 . . . . 0.0 111.183 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -60.05 -39.51 86.23 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.433 1.093 . . . . 0.0 111.303 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.17 64.88 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.465 0.706 . . . . 0.0 111.827 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -98.68 8.93 44.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.549 1.14 . . . . 0.0 110.925 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 64.16 44.93 4.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.006 1.723 . . . . 0.0 111.491 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -134.45 172.87 12.3 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.244 1.818 . . . . 0.0 108.503 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -126.26 128.02 46.53 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.986 0.914 . . . . 0.0 109.716 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.3 124.62 23.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.722 0.409 . . . . 0.0 110.243 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -89.14 89.75 8.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 169.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.74 -16.37 0.07 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.958 2.103 . . . . 0.0 116.35 -175.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -78.42 -42.02 31.27 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 119.128 0.877 . . . . 0.0 110.273 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -109.04 -11.46 14.95 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.522 1.129 . . . . 0.0 111.915 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.2 m 50.17 58.61 5.29 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.739 2.016 . . . . 0.0 112.215 -173.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -126.0 153.32 44.52 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 125.534 1.534 . . . . 0.0 107.985 170.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -89.17 126.42 35.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.246 0.618 . . . . 0.0 109.533 -174.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -110.63 145.79 37.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.414 1.486 . . . . 0.0 111.156 -172.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -78.04 130.63 72.01 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 125.417 1.487 . . . . 0.0 109.429 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.91 86.73 1.05 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.209 2.606 . . . . 0.0 110.038 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -71.64 -64.71 0.87 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.625 0.77 . . . . 0.0 109.575 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.181 -1.39 . . . . 0.0 108.098 174.041 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? 68.83 -68.98 0.17 Allowed 'General case' 0 C--N 1.342 0.277 0 C-N-CA 126.549 1.939 . . . . 0.0 108.224 -169.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -70.65 153.76 42.52 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 168.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -70.74 81.54 0.62 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -149.15 71.66 10.14 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 124.584 1.153 . . . . 0.0 108.717 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.71 81.49 2.66 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.684 2.923 . . . . 0.0 110.687 -173.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.8 m -128.94 174.41 9.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.025 1.33 . . . . 0.0 109.227 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.58 -164.22 10.88 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 -173.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -53.31 142.52 56.85 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 124.442 3.428 . . . . 0.0 112.998 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.4 m -73.84 -75.24 0.16 Allowed 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.749 0.82 . . . . 0.0 110.232 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 t -90.39 -155.75 0.39 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.944 0.898 . . . . 0.0 110.257 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.7 172.16 6.73 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.521 1.128 . . . . 0.0 111.125 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -88.59 54.5 3.06 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 mtp-105 -155.98 -57.22 0.09 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 128.541 2.736 . . . . 0.0 105.488 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.0 69.12 0.96 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.942 2.097 . . . . 0.0 109.412 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -83.0 -2.34 55.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.93 1.292 . . . . 0.0 111.19 171.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -84.39 48.69 1.54 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.371 1.469 . . . . 0.0 108.85 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -140.89 149.94 42.56 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.158 1.783 . . . . 0.0 108.282 -174.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.5 m -129.16 151.71 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 125.67 1.588 . . . . 0.0 108.786 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -123.67 135.97 54.21 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.811 1.244 . . . . 0.0 109.526 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.21 122.44 82.87 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 123.475 0.71 . . . . 0.0 109.64 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -50.22 -31.44 29.12 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 124.195 3.263 . . . . 0.0 115.682 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -99.87 -49.81 4.22 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.769 0.827 . . . . 0.0 111.756 -171.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.3 p -99.22 -17.41 18.13 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.673 0.789 . . . . 0.0 112.365 -170.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.1 m 64.52 20.21 12.07 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.989 1.316 . . . . 0.0 112.734 -174.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -66.73 130.79 44.34 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 169.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 68.5 m -99.4 144.9 27.98 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.067 0.547 . . . . 0.0 110.539 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.4 m -140.75 156.47 46.18 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.228 1.411 . . . . 0.0 107.855 171.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.3 m -69.51 146.31 51.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.849 0.357 . . . . 0.0 110.603 171.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -64.02 -47.02 81.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.169 0.987 . . . . 0.0 109.225 172.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -84.61 145.51 27.98 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.94 1.296 . . . . 0.0 109.463 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.0 p -134.7 162.08 33.35 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 124.132 0.973 . . . . 0.0 111.188 -171.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -59.14 -37.87 78.3 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 123.971 0.909 . . . . 0.0 110.807 171.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m -62.6 -49.12 76.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.093 0.957 . . . . 0.0 110.809 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -57.76 -47.72 81.7 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.32 1.048 . . . . 0.0 110.856 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.71 -46.32 88.68 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.292 0.237 . . . . 0.0 111.171 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.23 -37.57 83.52 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.922 1.289 . . . . 0.0 111.72 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.66 -36.5 69.62 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.979 0.511 . . . . 0.0 111.129 173.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.69 24.27 8.52 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.84 0.856 . . . . 0.0 112.115 176.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 61.04 42.19 12.89 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.598 1.559 . . . . 0.0 112.963 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -138.31 179.93 6.17 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.992 1.717 . . . . 0.0 108.196 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -134.61 155.89 49.67 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.377 0.671 . . . . 0.0 109.791 173.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.2 tp -83.74 133.75 34.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.326 1.05 . . . . 0.0 111.502 -171.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -89.59 102.89 15.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 104.659 -2.348 . . . . 0.0 104.659 167.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -60.35 -12.87 10.38 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -172.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -79.24 -53.75 6.65 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.524 0.73 . . . . 0.0 109.777 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -89.83 -26.18 20.67 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.438 1.095 . . . . 0.0 111.238 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 69.2 m 60.21 57.42 2.95 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.414 1.886 . . . . 0.0 110.312 -169.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -126.18 154.79 42.73 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.369 1.868 . . . . 0.0 108.46 170.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 84.6 m -89.2 136.19 33.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -176.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -140.23 161.92 36.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.457 1.503 . . . . 0.0 109.764 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -70.66 127.89 91.49 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.26 103.8 1.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.843 2.362 . . . . 0.0 109.902 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -155.64 -143.05 0.12 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.484 1.114 . . . . 0.0 108.48 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.162 1.385 . . . . 0.0 109.123 -179.602 . . . . . . . . 0 0 . 1 stop_ save_